[2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-bromanylbenzoate Openeye Name: [2-methoxy-4-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-methoxy-4-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-methoxy-4-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3O3S/c1-15-5-3-8-19(11-15)26-23(31)27-25-14-16-9-10-20(21(12-16)29-2)30-22(28)17-6-4-7-18(24)13-17/h3-14H,1-2H3,(H2,26,27,31)/b25-14+