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

Systemtic Name: naphthalen-1-ylmethyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate hydrochloride Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-naphthylmethyl)isothiourea hydrochloride CAS Name: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioic acid 1-naphthalenylmethyl ester hydrochloride IUPAC Name: naphthalen-1-ylmethyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate hydrochloride Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-naphthylmethyl)isothiourea hydrochloride Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=CC=CC4=CC=CC=C43.Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=CC=CC4=CC=CC=C43.Cl

InChI

InChI=1S/C20H18N2O2S.ClH/c21-20(22-16-8-9-18-19(12-16)24-11-10-23-18)25-13-15-6-3-5-14-4-1-2-7-17(14)15;/h1-9,12H,10-11,13H2,(H2,21,22);1H