4-oxidanylidene-N-(6-pyrrolidin-1-ylpyridin-3-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(6-pyrrolidin-1-ylpyridin-3-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-(6-pyrrolidin-1-yl-3-pyridyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[6-(1-pyrrolidinyl)-3-pyridinyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(6-pyrrolidin-1-ylpyridin-3-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(6-pyrrolidino-3-pyridyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2S/c24-18-7-10-26-16-5-3-13(11-15(16)22-18)19(25)21-14-4-6-17(20-12-14)23-8-1-2-9-23/h3-6,11-12H,1-2,7-10H2,(H,21,25)(H,22,24)