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

Systemtic Name: [1-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methylbenzoate Openeye Name: [1-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]-2-naphthyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methylbenzoate Traditional Name: 4-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=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=S)NC4CCCCC4

Isomeric SMILES

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

InChI

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