methyl N'-(4-pyridin-2-ylbutyl)carbamimidothioate

Systemtic Name: methyl N'-(4-pyridin-2-ylbutyl)carbamimidothioate Openeye Name: 2-methyl-3-[4-(2-pyridyl)butyl]isothiourea CAS Name: N'-[4-(2-pyridinyl)butyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-pyridin-2-ylbutyl)carbamimidothioate Traditional Name: 2-methyl-3-[4-(2-pyridyl)butyl]isothiourea Formula: C11H17N3S MolecularWeight: 223.33778

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCCC1=CC=CC=N1)N

Isomeric SMILES

CSC(=NCCCCC1=CC=CC=N1)N

InChI

InChI=1S/C11H17N3S/c1-15-11(12)14-9-5-3-7-10-6-2-4-8-13-10/h2,4,6,8H,3,5,7,9H2,1H3,(H2,12,14)