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

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

Formula: C22H21N3OS2

SMILES: O=C(NC1=CC=CC=C1)C1=C(NC(=S)NC2=CC=CC=C2)SC2=C1CCCC2

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

InChI: InChI=1S/C22H21N3OS2/c26-20(23-15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)28-21(19)25-22(27)24-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,23,26)(H2,24,25,27)

Composition: C (64.84%), H (5.19%), N (10.31%), O (3.93%), S (15.73%)

Molar Mass: 407.55

Atom Count: 49

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	407.112604656
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	3
InChIKey	HTWGRFPHDGZXOI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	123.26
Topological Polar Surface Area	53.16
Polarizability	45.22
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21N3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00