N-[(4-aminocarbonylphenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(4-carbamoylbenzyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N)NC1=O

InChI

InChI=1S/C18H17N3O3S/c19-17(23)12-3-1-11(2-4-12)10-20-18(24)13-5-6-15-14(9-13)21-16(22)7-8-25-15/h1-6,9H,7-8,10H2,(H2,19,23)(H,20,24)(H,21,22)