naphthalen-1-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate hydrochloride

Systemtic Name: naphthalen-1-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate hydrochloride Openeye Name: 1,3-diisopropyl-2-(1-naphthylmethyl)isothiourea hydrochloride CAS Name: N,N'-di(propan-2-yl)carbamimidothioic acid 1-naphthalenylmethyl ester hydrochloride IUPAC Name: naphthalen-1-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate hydrochloride Traditional Name: 1,3-diisopropyl-2-(1-naphthylmethyl)isothiourea hydrochloride Formula: C18H25ClN2S MolecularWeight: 336.9225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=NC(C)C)SCC1=CC=CC2=CC=CC=C21.Cl

Isomeric SMILES

CC(C)NC(=NC(C)C)SCC1=CC=CC2=CC=CC=C21.Cl

InChI

InChI=1S/C18H24N2S.ClH/c1-13(2)19-18(20-14(3)4)21-12-16-10-7-9-15-8-5-6-11-17(15)16;/h5-11,13-14H,12H2,1-4H3,(H,19,20);1H