N-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-4-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]butanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-4-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-oxo-4-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazino]butanamide CAS Name: N-(3-chloro-2-methylphenyl)-4-oxo-4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]butanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]butanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-keto-4-[N'-[[(E)-3-phenylacryloyl]thiocarbamoyl]hydrazino]butyramide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/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/h2-11H,12-13H2,1H3,(H,23,27)(H,25,29)(H2,24,26,28,30)/b11-10+