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

Systemtic Name: [2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Openeye Name: [2-methoxy-4-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-methoxy-4-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-methoxy-4-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-4-14-32-22-11-9-20(10-12-22)25(30)33-23-13-8-19(16-24(23)31-3)17-27-29-26(34)28-21-7-5-6-18(2)15-21/h5-13,15-17H,4,14H2,1-3H3,(H2,28,29,34)/b27-17+