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

Systemtic Name: 4-oxidanylidene-N-(2-piperidin-1-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[2-(1-piperidyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[2-(1-piperidinyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(2-piperidin-1-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(2-piperidinophenyl)-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(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H23N3O2S/c25-20-10-13-27-19-9-8-15(14-17(19)22-20)21(26)23-16-6-2-3-7-18(16)24-11-4-1-5-12-24/h2-3,6-9,14H,1,4-5,10-13H2,(H,22,25)(H,23,26)