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

Systemtic Name: N-[2-[(4-nitrophenyl)amino]ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(4-nitroanilino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(4-nitroanilino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(4-nitroanilino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(4-nitroanilino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C18H18N4O4S/c23-17-7-10-27-16-6-1-12(11-15(16)21-17)18(24)20-9-8-19-13-2-4-14(5-3-13)22(25)26/h1-6,11,19H,7-10H2,(H,20,24)(H,21,23)