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

Systemtic Name: [4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Openeye Name: [4-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-3-15-30-22-13-9-20(10-14-22)24(29)31-23-11-7-19(8-12-23)17-26-28-25(32)27-21-6-4-5-18(2)16-21/h4-14,16-17H,3,15H2,1-2H3,(H2,27,28,32)/b26-17+