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

Systemtic Name: [4-bromanyl-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Openeye Name: [4-bromo-2-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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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)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3=CC=CC(=C3)C

InChI

InChI=1S/C25H24BrN3O3S/c1-3-13-31-22-10-7-18(8-11-22)24(30)32-23-12-9-20(26)15-19(23)16-27-29-25(33)28-21-6-4-5-17(2)14-21/h4-12,14-16H,3,13H2,1-2H3,(H2,28,29,33)/b27-16+