methyl N'-[4-(pyridin-2-ylamino)butyl]carbamimidothioate

Systemtic Name: methyl N'-[4-(pyridin-2-ylamino)butyl]carbamimidothioate Openeye Name: 2-methyl-3-[4-(2-pyridylamino)butyl]isothiourea CAS Name: N'-[4-(2-pyridinylamino)butyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[4-(pyridin-2-ylamino)butyl]carbamimidothioate Traditional Name: 2-methyl-3-[4-(2-pyridylamino)butyl]isothiourea Formula: C11H18N4S MolecularWeight: 238.35242

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCCNC1=CC=CC=N1)N

Isomeric SMILES

CSC(=NCCCCNC1=CC=CC=N1)N

InChI

InChI=1S/C11H18N4S/c1-16-11(12)15-9-5-4-8-14-10-6-2-3-7-13-10/h2-3,6-7H,4-5,8-9H2,1H3,(H2,12,15)(H,13,14)