[4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate

Systemtic Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=S)NC3CCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)NC3CCCCC3

InChI

InChI=1S/C25H31N3O3S/c1-2-3-17-30-22-15-11-20(12-16-22)24(29)31-23-13-9-19(10-14-23)18-26-28-25(32)27-21-7-5-4-6-8-21/h9-16,18,21H,2-8,17H2,1H3,(H2,27,28,32)/b26-18+