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

Systemtic Name: [4-bromanyl-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate Openeye Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-bromo-2-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-bromo-2-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C23H26BrN3O3S MolecularWeight: 504.43984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3CCCCC3

InChI

InChI=1S/C23H26BrN3O3S/c1-2-29-20-11-8-16(9-12-20)22(28)30-21-13-10-18(24)14-17(21)15-25-27-23(31)26-19-6-4-3-5-7-19/h8-15,19H,2-7H2,1H3,(H2,26,27,31)/b25-15+