[4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-propoxybenzoate

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-propoxybenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3CCCCC3)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC3CCCCC3)OC

InChI

InChI=1S/C25H31N3O4S/c1-3-15-31-21-12-10-19(11-13-21)24(29)32-22-14-9-18(16-23(22)30-2)17-26-28-25(33)27-20-7-5-4-6-8-20/h9-14,16-17,20H,3-8,15H2,1-2H3,(H2,27,28,33)/b26-17+