[1-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate

Systemtic Name: [1-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate Openeye Name: [1-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]-2-naphthyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [1-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [1-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]-2-naphthyl] ester Formula: C27H29N3O4S MolecularWeight: 491.60186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=S)NC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=S)NC4CCCCC4)OC

InChI

InChI=1S/C27H29N3O4S/c1-32-24-15-13-19(16-25(24)33-2)26(31)34-23-14-12-18-8-6-7-11-21(18)22(23)17-28-30-27(35)29-20-9-4-3-5-10-20/h6-8,11-17,20H,3-5,9-10H2,1-2H3,(H2,29,30,35)/b28-17+