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

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H17BrN2O2S2 MolecularWeight: 437.37378

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCSC3=CC=C(C=C3)Br)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCSC3=CC=C(C=C3)Br)NC1=O

InChI

InChI=1S/C18H17BrN2O2S2/c19-13-2-4-14(5-3-13)24-10-8-20-18(23)12-1-6-16-15(11-12)21-17(22)7-9-25-16/h1-6,11H,7-10H2,(H,20,23)(H,21,22)