N-(2-chlorophenyl)-2-[(phenylcarbamothioyl)amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

N-(2-chlorophenyl)-2-[(phenylcarbamothioyl)amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

Formula: C23H22ClN3OS2

SMILES: ClC1=CC=CC=C1NC(=O)C1=C(NC(=S)NC2=CC=CC=C2)SC2=C1CCCCC2

IUPAC: N-(2-chlorophenyl)-2-[(phenylcarbamothioyl)amino]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

InChI: InChI=1S/C23H22ClN3OS2/c24-17-12-7-8-13-18(17)26-21(28)20-16-11-5-2-6-14-19(16)30-22(20)27-23(29)25-15-9-3-1-4-10-15/h1,3-4,7-10,12-13H,2,5-6,11,14H2,(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	0
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	PAAHTVBXNMJWEO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	132.67
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