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

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(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=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O2S/c22-17-6-4-5-16(13-17)20(26)27-19-11-9-15(10-12-19)14-23-25-21(28)24-18-7-2-1-3-8-18/h4-6,9-14,18H,1-3,7-8H2,(H2,24,25,28)/b23-14+