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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H23N3O2S/c25-20-8-11-27-19-7-6-16(13-18(19)23-20)21(26)22-17-5-3-4-15(12-17)14-24-9-1-2-10-24/h3-7,12-13H,1-2,8-11,14H2,(H,22,26)(H,23,25)