N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54)NC1=O

InChI

InChI=1S/C26H23N3O2S/c30-25-12-13-32-24-11-10-18(14-23(24)29-25)26(31)28-15-20(17-6-2-1-3-7-17)21-16-27-22-9-5-4-8-19(21)22/h1-11,14,16,20,27H,12-13,15H2,(H,28,31)(H,29,30)