[4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C23H21N3O2S MolecularWeight: 403.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C23H21N3O2S/c1-16-5-3-7-19(13-16)22(27)28-21-11-9-18(10-12-21)15-24-26-23(29)25-20-8-4-6-17(2)14-20/h3-15H,1-2H3,(H2,25,26,29)/b24-15+