[4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-ethoxy-phenyl] 4-ethoxybenzoate

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-ethoxy-phenyl] 4-ethoxybenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]-2-ethoxy-phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]-2-ethoxy-phenyl] ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3CCCCC3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC3CCCCC3)OCC

InChI

InChI=1S/C25H31N3O4S/c1-3-30-21-13-11-19(12-14-21)24(29)32-22-15-10-18(16-23(22)31-4-2)17-26-28-25(33)27-20-8-6-5-7-9-20/h10-17,20H,3-9H2,1-2H3,(H2,27,28,33)/b26-17+