quinolin-3-ylmethyl carbamimidothioate dihydrochloride

Systemtic Name: quinolin-3-ylmethyl carbamimidothioate dihydrochloride Openeye Name: 2-(3-quinolylmethyl)isothiourea dihydrochloride CAS Name: carbamimidothioic acid 3-quinolinylmethyl ester dihydrochloride IUPAC Name: quinolin-3-ylmethyl carbamimidothioate dihydrochloride Traditional Name: 2-(3-quinolylmethyl)isothiourea dihydrochloride Formula: C11H13Cl2N3S MolecularWeight: 290.21202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)CSC(=N)N.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)CSC(=N)N.Cl.Cl

InChI

InChI=1S/C11H11N3S.2ClH/c12-11(13)15-7-8-5-9-3-1-2-4-10(9)14-6-8;;/h1-6H,7H2,(H3,12,13);2*1H