4-oxidanylidene-N-[(1-phenylcyclobutyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(1-phenylcyclobutyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[(1-phenylcyclobutyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[(1-phenylcyclobutyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[(1-phenylcyclobutyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[(1-phenylcyclobutyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CC=C4

Isomeric SMILES

C1CC(C1)(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S/c24-19-9-12-26-18-8-7-15(13-17(18)23-19)20(25)22-14-21(10-4-11-21)16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2,(H,22,25)(H,23,24)