N-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-4-[2-(3-phenylpropanoylcarbamothioyl)hydrazinyl]butanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-4-[2-(3-phenylpropanoylcarbamothioyl)hydrazinyl]butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-oxo-4-[2-(3-phenylpropanoylcarbamothioyl)hydrazino]butanamide CAS Name: N-(3-chloro-2-methylphenyl)-4-oxo-4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]hydrazo]butanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-(3-phenylpropanoylcarbamothioyl)hydrazinyl]butanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-[N'-(hydrocinnamoylthiocarbamoyl)hydrazino]-4-keto-butyramide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H23ClN4O3S/c1-14-16(22)8-5-9-17(14)23-18(27)12-13-20(29)25-26-21(30)24-19(28)11-10-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3,(H,23,27)(H,25,29)(H2,24,26,28,30)