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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-[2-[2-(3-methylphenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-[2-[[2-(3-methylphenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxobutanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-[2-[[2-(3-methylphenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-keto-4-[N'-[[2-(3-methylphenoxy)acetyl]thiocarbamoyl]hydrazino]butyramide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C21H23ClN4O4S/c1-13-5-3-6-15(11-13)30-12-20(29)24-21(31)26-25-19(28)10-9-18(27)23-17-8-4-7-16(22)14(17)2/h3-8,11H,9-10,12H2,1-2H3,(H,23,27)(H,25,28)(H2,24,26,29,31)