[4-bromanyl-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-bromo-2-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-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=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O2S/c1-15-6-5-7-16(12-15)21(27)28-20-11-10-18(23)13-17(20)14-24-26-22(29)25-19-8-3-2-4-9-19/h5-7,10-14,19H,2-4,8-9H2,1H3,(H2,25,26,29)/b24-14+