4-oxidanylidene-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(2-keto-2-mesidino-ethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

InChI

InChI=1S/C21H23N3O3S/c1-12-8-13(2)20(14(3)9-12)24-19(26)11-22-21(27)15-4-5-17-16(10-15)23-18(25)6-7-28-17/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)