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

Systemtic Name: methyl N'-(5-chloranyl-2,3-dihydroindol-1-yl)carbamimidothioate hydrochloride Openeye Name: 3-(5-chloroindolin-1-yl)-2-methyl-isothiourea hydrochloride CAS Name: N'-(5-chloro-2,3-dihydroindol-1-yl)carbamimidothioic acid methyl ester hydrochloride IUPAC Name: methyl N'-(5-chloro-2,3-dihydroindol-1-yl)carbamimidothioate hydrochloride Traditional Name: 3-(5-chloroindolin-1-yl)-2-methyl-isothiourea hydrochloride Formula: C10H13Cl2N3S MolecularWeight: 278.20132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClN3S.ClH/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);1H