methyl 3-[[(E)-(phenylmethylidene)amino]carbamothioylamino]benzoate

Systemtic Name: methyl 3-[[(E)-(phenylmethylidene)amino]carbamothioylamino]benzoate Openeye Name: methyl 3-[[(E)-benzylideneamino]carbamothioylamino]benzoate CAS Name: 3-[[[(2E)-2-(phenylmethylene)hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-benzylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(E)-benzalamino]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NN=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=CC=C2

InChI

InChI=1S/C16H15N3O2S/c1-21-15(20)13-8-5-9-14(10-13)18-16(22)19-17-11-12-6-3-2-4-7-12/h2-11H,1H3,(H2,18,19,22)/b17-11+