[1-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate

Systemtic Name: [1-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate Openeye Name: [1-[(E)-(m-tolylcarbamothioylhydrazono)methyl]-2-naphthyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [1-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]-2-naphthyl] ester Formula: C27H23N3O2S MolecularWeight: 453.55542

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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)NC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=S)NC4=CC=CC(=C4)C

InChI

InChI=1S/C27H23N3O2S/c1-18-10-12-21(13-11-18)26(31)32-25-15-14-20-7-3-4-9-23(20)24(25)17-28-30-27(33)29-22-8-5-6-19(2)16-22/h3-17H,1-2H3,(H2,29,30,33)/b28-17+