[3-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [3-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chloranylbenzoate Openeye Name: [3-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c22-17-11-9-16(10-12-17)20(26)27-19-8-4-5-15(13-19)14-23-25-21(28)24-18-6-2-1-3-7-18/h4-5,8-14,18H,1-3,6-7H2,(H2,24,25,28)/b23-14+