5-[(4-methoxyphenyl)amino]-3-methyl-7-phenylazanyl-1,4-thiazepine-6-carbonitrile

Systemtic Name: 5-[(4-methoxyphenyl)amino]-3-methyl-7-phenylazanyl-1,4-thiazepine-6-carbonitrile Openeye Name: 7-anilino-5-(4-methoxyanilino)-3-methyl-1,4-thiazepine-6-carbonitrile CAS Name: 7-anilino-5-(4-methoxyanilino)-3-methyl-1,4-thiazepine-6-carbonitrile IUPAC Name: 7-anilino-5-(4-methoxyanilino)-3-methyl-1,4-thiazepine-6-carbonitrile Traditional Name: 7-anilino-3-methyl-5-(p-anisidino)-1,4-thiazepine-6-carbonitrile Formula: C20H18N4OS MolecularWeight: 362.44812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C(C(=N1)NC2=CC=C(C=C2)OC)C#N)NC3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=C(C(=N1)NC2=CC=C(C=C2)OC)C#N)NC3=CC=CC=C3

InChI

InChI=1S/C20H18N4OS/c1-14-13-26-20(24-15-6-4-3-5-7-15)18(12-21)19(22-14)23-16-8-10-17(25-2)11-9-16/h3-11,13,24H,1-2H3,(H,22,23)