4-[2-[(4-methylphenyl)carbamothioyl]hydrazinyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[(4-methylphenyl)carbamothioyl]hydrazinyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-[2-(p-tolylcarbamothioyl)hydrazino]butanoic acid CAS Name: 4-[[(4-methylanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanoic acid IUPAC Name: 4-[2-[(4-methylphenyl)carbamothioyl]hydrazinyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[N'-(p-tolylthiocarbamoyl)hydrazino]butyric acid Formula: C12H15N3O3S MolecularWeight: 281.3308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)CCC(=O)O

InChI

InChI=1S/C12H15N3O3S/c1-8-2-4-9(5-3-8)13-12(19)15-14-10(16)6-7-11(17)18/h2-5H,6-7H2,1H3,(H,14,16)(H,17,18)(H2,13,15,19)