quinolin-8-ylmethyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate hydrochloride

Systemtic Name: quinolin-8-ylmethyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate hydrochloride Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-quinolylmethyl)isothiourea hydrochloride CAS Name: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioic acid 8-quinolinylmethyl ester hydrochloride IUPAC Name: quinolin-8-ylmethyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate hydrochloride Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-quinolylmethyl)isothiourea hydrochloride Formula: C19H18ClN3O2S MolecularWeight: 387.88312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=CC=CC4=C3N=CC=C4.Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=CC=CC4=C3N=CC=C4.Cl

InChI

InChI=1S/C19H17N3O2S.ClH/c20-19(22-15-6-7-16-17(11-15)24-10-9-23-16)25-12-14-4-1-3-13-5-2-8-21-18(13)14;/h1-8,11H,9-10,12H2,(H2,20,22);1H