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

Systemtic Name: 4-oxidanylidene-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(2-phenyl-2-pyrrolidino-ethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c26-21-10-13-28-20-9-8-17(14-18(20)24-21)22(27)23-15-19(25-11-4-5-12-25)16-6-2-1-3-7-16/h1-3,6-9,14,19H,4-5,10-13,15H2,(H,23,27)(H,24,26)