N-(3-indol-1-ylpropyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(3-indol-1-ylpropyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(3-indol-1-ylpropyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-(1-indolyl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(3-indol-1-ylpropyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(3-indol-1-ylpropyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCCN3C=CC4=CC=CC=C43)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCCN3C=CC4=CC=CC=C43)NC1=O

InChI

InChI=1S/C21H21N3O2S/c25-20-9-13-27-19-7-6-16(14-17(19)23-20)21(26)22-10-3-11-24-12-8-15-4-1-2-5-18(15)24/h1-2,4-8,12,14H,3,9-11,13H2,(H,22,26)(H,23,25)