4-oxidanylidene-N-[1-(phenylmethyl)pyrrolidin-3-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[1-(phenylmethyl)pyrrolidin-3-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[1-(phenylmethyl)-3-pyrrolidinyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c25-20-9-11-27-19-7-6-16(12-18(19)23-20)21(26)22-17-8-10-24(14-17)13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,22,26)(H,23,25)