[4-bromanyl-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-bromo-2-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-bromophenyl] ester IUPAC Name: [4-bromo-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-bromo-2-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C23H20BrN3O4S MolecularWeight: 514.3916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3O4S/c1-29-20-10-8-15(13-21(20)30-2)22(28)31-19-11-9-17(24)12-16(19)14-25-27-23(32)26-18-6-4-3-5-7-18/h3-14H,1-2H3,(H2,26,27,32)/b25-14+