2-(4-pyridin-2-ylbutylamino)ethyl carbamimidothioate

Systemtic Name: 2-(4-pyridin-2-ylbutylamino)ethyl carbamimidothioate Openeye Name: 2-[2-[4-(2-pyridyl)butylamino]ethyl]isothiourea CAS Name: carbamimidothioic acid 2-[4-(2-pyridinyl)butylamino]ethyl ester IUPAC Name: 2-(4-pyridin-2-ylbutylamino)ethyl carbamimidothioate Traditional Name: 2-[2-[4-(2-pyridyl)butylamino]ethyl]isothiourea Formula: C12H20N4S MolecularWeight: 252.379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCCCNCCSC(=N)N

Isomeric SMILES

C1=CC=NC(=C1)CCCCNCCSC(=N)N

InChI

InChI=1S/C12H20N4S/c13-12(14)17-10-9-15-7-3-1-5-11-6-2-4-8-16-11/h2,4,6,8,15H,1,3,5,7,9-10H2,(H3,13,14)