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

Systemtic Name: N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-methyl-N-[4-(methylcarbamoyl)benzyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-21-19(25)14-5-3-13(4-6-14)12-23(2)20(26)15-7-8-17-16(11-15)22-18(24)9-10-27-17/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)(H,22,24)