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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-4-[2-(2-phenoxyethanoylcarbamothioyl)hydrazinyl]butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-oxo-4-[2-[(2-phenoxyacetyl)carbamothioyl]hydrazino]butanamide CAS Name: N-(3-chloro-2-methylphenyl)-4-oxo-4-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]hydrazo]butanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[(2-phenoxyacetyl)carbamothioyl]hydrazinyl]butanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-keto-4-[N'-[(2-phenoxyacetyl)thiocarbamoyl]hydrazino]butyramide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H21ClN4O4S/c1-13-15(21)8-5-9-16(13)22-17(26)10-11-18(27)24-25-20(30)23-19(28)12-29-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,30)