methyl 2-[2-[(3-cyanophenyl)carbamothioylamino]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[(3-cyanophenyl)carbamothioylamino]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(3-cyanophenyl)carbamothioylamino]acetyl]amino]acetate CAS Name: 2-[[2-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-cyanophenyl)carbamothioylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[(3-cyanophenyl)thiocarbamoylamino]acetyl]amino]acetic acid methyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CNC(=S)NC1=CC=CC(=C1)C#N

Isomeric SMILES

COC(=O)CNC(=O)CNC(=S)NC1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H14N4O3S/c1-20-12(19)8-15-11(18)7-16-13(21)17-10-4-2-3-9(5-10)6-14/h2-5H,7-8H2,1H3,(H,15,18)(H2,16,17,21)