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

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

Systemtic Name:methyl N-cyano-N'-[2-(1H-indol-3-ylmethylsulfanyl)ethyl]carbamimidothioate
Openeye Name:1-cyano-3-[2-(1H-indol-3-ylmethylsulfanyl)ethyl]-2-methyl-isothiourea
CAS Name:N-cyano-N'-[2-(1H-indol-3-ylmethylthio)ethyl]carbamimidothioic acid methyl ester
IUPAC Name:methyl N-cyano-N'-[2-(1H-indol-3-ylmethylsulfanyl)ethyl]carbamimidothioate
Traditional Name:1-cyano-3-[2-(1H-indol-3-ylmethylthio)ethyl]-2-methyl-isothiourea
Formula: C14H16N4S2
MolecularWeight: 304.43364
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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=CNC2=CC=CC=C21)NC#N


Isomeric SMILES

CSC(=NCCSCC1=CNC2=CC=CC=C21)NC#N


InChI

InChI=1S/C14H16N4S2/c1-19-14(18-10-15)16-6-7-20-9-11-8-17-13-5-3-2-4-12(11)13/h2-5,8,17H,6-7,9H2,1H3,(H,16,18)


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