methyl N'-(5-chloranyl-2,3-dihydroindol-1-yl)carbamimidothioate

Systemtic Name: methyl N'-(5-chloranyl-2,3-dihydroindol-1-yl)carbamimidothioate Openeye Name: 3-(5-chloroindolin-1-yl)-2-methyl-isothiourea CAS Name: N'-(5-chloro-2,3-dihydroindol-1-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(5-chloro-2,3-dihydroindol-1-yl)carbamimidothioate Traditional Name: 3-(5-chloroindolin-1-yl)-2-methyl-isothiourea Formula: C10H12ClN3S MolecularWeight: 241.74038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NN1CCC2=C1C=CC(=C2)Cl)N

Isomeric SMILES

CS/C(=N/N1CCC2=C1C=CC(=C2)Cl)/N

InChI

InChI=1S/C10H12ClN3S/c1-15-10(12)13-14-5-4-7-6-8(11)2-3-9(7)14/h2-3,6H,4-5H2,1H3,(H2,12,13)