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

Systemtic Name: [4-bromanyl-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate Openeye Name: [4-bromo-2-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-bromo-2-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-bromo-2-[(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=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

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