[1-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 3-methylbenzoate

Systemtic Name: [1-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 3-methylbenzoate Openeye Name: [1-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]-2-naphthyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [1-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [1-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]-2-naphthyl] ester Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=S)NC4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=S)NC4CCCCC4

InChI

InChI=1S/C26H27N3O2S/c1-18-8-7-10-20(16-18)25(30)31-24-15-14-19-9-5-6-13-22(19)23(24)17-27-29-26(32)28-21-11-3-2-4-12-21/h5-10,13-17,21H,2-4,11-12H2,1H3,(H2,28,29,32)/b27-17+