N-[2-[(4-methoxyphenyl)amino]phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-[(4-methoxyphenyl)amino]phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(4-methoxyanilino)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(4-methoxyanilino)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(4-methoxyanilino)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(p-anisidino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C23H21N3O3S MolecularWeight: 419.49614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C23H21N3O3S/c1-29-17-9-7-16(8-10-17)24-18-4-2-3-5-19(18)26-23(28)15-6-11-21-20(14-15)25-22(27)12-13-30-21/h2-11,14,24H,12-13H2,1H3,(H,25,27)(H,26,28)