N-(3,4-dimethylphenyl)-4-[2-(2,2-diphenylethanoylcarbamothioyl)hydrazinyl]-4-oxidanylidene-butanamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-[2-(2,2-diphenylethanoylcarbamothioyl)hydrazinyl]-4-oxidanylidene-butanamide Openeye Name: N-(3,4-dimethylphenyl)-4-[2-[(2,2-diphenylacetyl)carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: N-(3,4-dimethylphenyl)-4-oxo-4-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]hydrazo]butanamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[2-[(2,2-diphenylacetyl)carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-(3,4-dimethylphenyl)-4-[N'-[(2,2-diphenylacetyl)thiocarbamoyl]hydrazino]-4-keto-butyramide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C27H28N4O3S/c1-18-13-14-22(17-19(18)2)28-23(32)15-16-24(33)30-31-27(35)29-26(34)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,25H,15-16H2,1-2H3,(H,28,32)(H,30,33)(H2,29,31,34,35)