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

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c25-20(17-7-3-1-4-8-17)26-19-13-11-16(12-14-19)15-22-24-21(27)23-18-9-5-2-6-10-18/h1,3-4,7-8,11-15,18H,2,5-6,9-10H2,(H2,23,24,27)/b22-15+