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

Systemtic Name: N-[1-(4-bromophenyl)propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[1-(4-bromophenyl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[1-(4-bromophenyl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[1-(4-bromophenyl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[1-(4-bromophenyl)propyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H19BrN2O2S MolecularWeight: 419.33536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCC(C1=CC=C(C=C1)Br)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H19BrN2O2S/c1-2-15(12-3-6-14(20)7-4-12)22-19(24)13-5-8-17-16(11-13)21-18(23)9-10-25-17/h3-8,11,15H,2,9-10H2,1H3,(H,21,23)(H,22,24)