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

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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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)NC3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S/c1-2-16-29-21-14-10-19(11-15-21)23(28)30-22-12-8-18(9-13-22)17-25-27-24(31)26-20-6-4-3-5-7-20/h8-15,17,20H,2-7,16H2,1H3,(H2,26,27,31)/b25-17+