[1-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate

Systemtic Name: [1-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate Openeye Name: [1-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]-2-naphthyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [1-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [1-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]-2-naphthyl] ester Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=S)NC4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=S)NC4CCCCC4

InChI

InChI=1S/C27H29N3O3S/c1-2-32-22-15-12-20(13-16-22)26(31)33-25-17-14-19-8-6-7-11-23(19)24(25)18-28-30-27(34)29-21-9-4-3-5-10-21/h6-8,11-18,21H,2-5,9-10H2,1H3,(H2,29,30,34)/b28-18+