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

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-2-28-20-14-10-18(11-15-20)22(27)29-21-12-8-17(9-13-21)16-24-26-23(30)25-19-6-4-3-5-7-19/h8-16,19H,2-7H2,1H3,(H2,25,26,30)/b24-16+