methyl 3-(azanylcarbamothioylamino)benzoate

Systemtic Name: methyl 3-(azanylcarbamothioylamino)benzoate Openeye Name: methyl 3-(aminocarbamothioylamino)benzoate CAS Name: 3-[[hydrazinyl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(aminocarbamothioylamino)benzoate Traditional Name: 3-(aminothiocarbamoylamino)benzoic acid methyl ester Formula: C9H11N3O2S MolecularWeight: 225.26754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O2S/c1-14-8(13)6-3-2-4-7(5-6)11-9(15)12-10/h2-5H,10H2,1H3,(H2,11,12,15)