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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-[2-[2-(4-nitrophenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-[2-[[2-(4-nitrophenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxobutanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-[2-[[2-(4-nitrophenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-keto-4-[N'-[[2-(4-nitrophenoxy)acetyl]thiocarbamoyl]hydrazino]butyramide Formula: C20H20ClN5O6S MolecularWeight: 493.9207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN5O6S/c1-12-15(21)3-2-4-16(12)22-17(27)9-10-18(28)24-25-20(33)23-19(29)11-32-14-7-5-13(6-8-14)26(30)31/h2-8H,9-11H2,1H3,(H,22,27)(H,24,28)(H2,23,25,29,33)