N'-[2-(4-methylphenyl)sulfanylethanoyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-[2-(4-methylphenyl)sulfanylethanoyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: 4-oxo-N'-[2-(p-tolylsulfanyl)acetyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[2-[(4-methylphenyl)thio]-1-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-[2-(4-methylphenyl)sulfanylacetyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: 4-keto-N'-[2-(p-tolylthio)acetyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S2/c1-12-2-5-14(6-3-12)27-11-18(24)21-22-19(25)13-4-7-16-15(10-13)20-17(23)8-9-26-16/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,24)(H,22,25)