3-azanyl-4-cyano-5-[(4-methylphenyl)amino]-N-quinolin-3-yl-thiophene-2-carboxamide

Systemtic Name: 3-azanyl-4-cyano-5-[(4-methylphenyl)amino]-N-quinolin-3-yl-thiophene-2-carboxamide Openeye Name: 3-amino-4-cyano-5-(4-methylanilino)-N-(3-quinolyl)thiophene-2-carboxamide CAS Name: 3-amino-4-cyano-5-(4-methylanilino)-N-(3-quinolinyl)-2-thiophenecarboxamide IUPAC Name: 3-amino-4-cyano-5-(4-methylanilino)-N-quinolin-3-ylthiophene-2-carboxamide Traditional Name: 3-amino-4-cyano-5-(p-toluidino)-N-(3-quinolyl)thiophene-2-carboxamide Formula: C22H17N5OS MolecularWeight: 399.46828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC4=CC=CC=C4N=C3)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC4=CC=CC=C4N=C3)N)C#N

InChI

InChI=1S/C22H17N5OS/c1-13-6-8-15(9-7-13)27-22-17(11-23)19(24)20(29-22)21(28)26-16-10-14-4-2-3-5-18(14)25-12-16/h2-10,12,27H,24H2,1H3,(H,26,28)