[4-bromanyl-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3O2S/c1-15-5-3-7-17(11-15)22(28)29-21-10-9-19(24)13-18(21)14-25-27-23(30)26-20-8-4-6-16(2)12-20/h3-14H,1-2H3,(H2,26,27,30)/b25-14+