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

Systemtic Name: [4-bromanyl-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Openeye Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C24H28BrN3O3S MolecularWeight: 518.46642

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3CCCCC3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3CCCCC3

InChI

InChI=1S/C24H28BrN3O3S/c1-2-14-30-21-11-8-17(9-12-21)23(29)31-22-13-10-19(25)15-18(22)16-26-28-24(32)27-20-6-4-3-5-7-20/h8-13,15-16,20H,2-7,14H2,1H3,(H2,27,28,32)/b26-16+