methyl 3-[[(E)-(4-methylphenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 3-[[(E)-(4-methylphenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 3-[[(E)-p-tolylmethyleneamino]carbamothioylamino]benzoate CAS Name: 3-[[[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-(4-methylphenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(E)-(4-methylbenzylidene)amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

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

InChI

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