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

Systemtic Name: N-methyl-4-oxidanylidene-N-(phenylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-benzyl-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-methyl-4-oxo-N-(phenylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-benzyl-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-benzyl-4-keto-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H18N2O2S/c1-20(12-13-5-3-2-4-6-13)18(22)14-7-8-16-15(11-14)19-17(21)9-10-23-16/h2-8,11H,9-10,12H2,1H3,(H,19,21)