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

Systemtic Name: N-[(4-methylphenyl)methyl]-4-oxidanylidene-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-propyl-N-(p-tolylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(4-methylbenzyl)-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-3-11-23(14-16-6-4-15(2)5-7-16)21(25)17-8-9-19-18(13-17)22-20(24)10-12-26-19/h4-9,13H,3,10-12,14H2,1-2H3,(H,22,24)