methyl 4-[[(E)-(2-methylphenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-(2-methylphenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-o-tolylmethyleneamino]carbamothioylamino]benzoate CAS Name: 4-[[[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-(2-methylphenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-(2-methylbenzylidene)amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=NNC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1/C=N/NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H17N3O2S/c1-12-5-3-4-6-14(12)11-18-20-17(23)19-15-9-7-13(8-10-15)16(21)22-2/h3-11H,1-2H3,(H2,19,20,23)/b18-11+