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

Systemtic Name: [2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate Openeye Name: [2-methoxy-4-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-methoxy-4-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-methoxy-4-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3=CC=CC(=C3)C)OC

Isomeric SMILES

CCCCOC1=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/C27H29N3O4S/c1-4-5-15-33-23-12-10-21(11-13-23)26(31)34-24-14-9-20(17-25(24)32-3)18-28-30-27(35)29-22-8-6-7-19(2)16-22/h6-14,16-18H,4-5,15H2,1-3H3,(H2,29,30,35)/b28-18+