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

Systemtic Name: [4-bromanyl-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-bromo-2-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-bromo-2-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3CCCCC3

InChI

InChI=1S/C22H24BrN3O2S/c1-15-7-9-16(10-8-15)21(27)28-20-12-11-18(23)13-17(20)14-24-26-22(29)25-19-5-3-2-4-6-19/h7-14,19H,2-6H2,1H3,(H2,25,26,29)/b24-14+