methyl N-cyano-N'-[2-(1H-indol-3-yl)ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-(1H-indol-3-yl)ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-(1H-indol-3-yl)ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-(1H-indol-3-yl)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-(1H-indol-3-yl)ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-(1H-indol-3-yl)ethyl]-2-methyl-isothiourea Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCC1=CNC2=CC=CC=C21)NC#N

Isomeric SMILES

CSC(=NCCC1=CNC2=CC=CC=C21)NC#N

InChI

InChI=1S/C13H14N4S/c1-18-13(17-9-14)15-7-6-10-8-16-12-5-3-2-4-11(10)12/h2-5,8,16H,6-7H2,1H3,(H,15,17)