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

Systemtic Name: [4-bromanyl-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Openeye Name: [4-bromo-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C24H21BrClN3O3S MolecularWeight: 546.86384

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCOC1=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/C24H21BrClN3O3S/c1-2-12-31-21-9-6-16(7-10-21)23(30)32-22-11-8-18(25)13-17(22)15-27-29-24(33)28-20-5-3-4-19(26)14-20/h3-11,13-15H,2,12H2,1H3,(H2,28,29,33)/b27-15+