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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S/c1-11-4-3-5-14(12(11)2)20-18(22)13-6-7-16-15(10-13)19-17(21)8-9-23-16/h3-7,10H,8-9H2,1-2H3,(H,19,21)(H,20,22)