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

Systemtic Name: [1-[(E)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methylbenzoate Openeye Name: [1-[(E)-(carbamothioylhydrazono)methyl]-2-naphthyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-[(E)-(carbamothioylhydrazinylidene)methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [1-[(E)-(thiocarbamoylhydrazono)methyl]-2-naphthyl] ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O2S/c1-13-6-8-15(9-7-13)19(24)25-18-11-10-14-4-2-3-5-16(14)17(18)12-22-23-20(21)26/h2-12H,1H3,(H3,21,23,26)/b22-12+