[2-methoxy-4-[[(phenylmethyl)carbamothioylhydrazinylidene]methyl]phenyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-methoxy-4-[[(phenylmethyl)carbamothioylhydrazinylidene]methyl]phenyl] 3,5-dimethoxybenzoate Openeye Name: [4-[(benzylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-methoxy-4-[[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(benzylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [4-[(benzylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NCC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C25H25N3O5S/c1-30-20-12-19(13-21(14-20)31-2)24(29)33-22-10-9-18(11-23(22)32-3)16-27-28-25(34)26-15-17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H2,26,28,34)