naphthalen-1-ylmethyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride

Systemtic Name: naphthalen-1-ylmethyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride Openeye Name: 3-(2-furylmethyl)-2-(1-naphthylmethyl)isothiourea hydrochloride CAS Name: N'-(2-furanylmethyl)carbamimidothioic acid 1-naphthalenylmethyl ester hydrochloride IUPAC Name: naphthalen-1-ylmethyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride Traditional Name: 3-(2-furfuryl)-2-(1-naphthylmethyl)isothiourea hydrochloride Formula: C17H17ClN2OS MolecularWeight: 332.84768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC(=NCC3=CC=CO3)N.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC(=NCC3=CC=CO3)N.Cl

InChI

InChI=1S/C17H16N2OS.ClH/c18-17(19-11-15-8-4-10-20-15)21-12-14-7-3-6-13-5-1-2-9-16(13)14;/h1-10H,11-12H2,(H2,18,19);1H