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

Systemtic Name: [4-bromanyl-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate Openeye Name: [4-bromo-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-bromo-2-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-bromo-2-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H17BrClN3O3S MolecularWeight: 518.81068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3=CC(=CC=C3)Cl

InChI

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