[4-bromanyl-2-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chloranylbenzoate Openeye Name: [4-bromo-2-[(E)-[(4-methoxyphenyl)carbamothioylhydrazono]methyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-bromo-2-[(E)-[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-bromo-2-[(E)-[(4-methoxyphenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H17BrClN3O3S MolecularWeight: 518.81068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H17BrClN3O3S/c1-29-19-9-7-18(8-10-19)26-22(31)27-25-13-15-12-16(23)4-11-20(15)30-21(28)14-2-5-17(24)6-3-14/h2-13H,1H3,(H2,26,27,31)/b25-13+