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

Systemtic Name: [4-bromanyl-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-bromo-2-[(E)-(carbamothioylhydrazono)methyl]phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-bromo-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-bromo-2-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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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)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O4S/c1-23-14-5-3-10(8-15(14)24-2)16(22)25-13-6-4-12(18)7-11(13)9-20-21-17(19)26/h3-9H,1-2H3,(H3,19,21,26)/b20-9+