N-(2-chlorophenyl)-6-methyl-2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(2-chlorophenyl)-6-methyl-2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C23H22ClN3OS2

SMILES: CC1CCC2=C(C1)SC(NC(=S)NC1=CC=CC=C1)=C2C(=O)NC1=CC=CC=C1Cl

IUPAC: N-(2-chlorophenyl)-6-methyl-2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C23H22ClN3OS2/c1-14-11-12-16-19(13-14)30-22(27-23(29)25-15-7-3-2-4-8-15)20(16)21(28)26-18-10-6-5-9-17(18)24/h2-10,14H,11-13H2,1H3,(H,26,28)(H2,25,27,29)

Composition: C (60.58%), H (4.86%), Cl (7.77%), N (9.21%), O (3.51%), S (14.06%)

Molar Mass: 456.02

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	455.0892824
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	3
InChIKey	OZWOKDAJGJRAIX-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	132.62
Topological Polar Surface Area	53.16
Polarizability	48.94
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H22ClN3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00