[4-bromanyl-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chloranylbenzoate Openeye Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-bromo-2-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-bromo-2-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H21BrClN3O2S MolecularWeight: 494.83234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrClN3O2S/c22-16-8-11-19(28-20(27)14-6-9-17(23)10-7-14)15(12-16)13-24-26-21(29)25-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H2,25,26,29)/b24-13+