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

Systemtic Name: [4-bromanyl-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate Openeye Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O2S/c22-17-11-12-19(27-20(26)15-7-3-1-4-8-15)16(13-17)14-23-25-21(28)24-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18H,2,5-6,9-10H2,(H2,24,25,28)/b23-14+