methyl N'-cyano-N-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethylamino]carbamimidothioate

Systemtic Name: methyl N'-cyano-N-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethylamino]carbamimidothioate Openeye Name: 3-cyano-1-[2-[[4-(dimethylaminomethyl)-2-pyridyl]methylsulfanyl]ethylamino]-2-methyl-isothiourea CAS Name: N'-cyano-N-[2-[[4-(dimethylaminomethyl)-2-pyridinyl]methylthio]ethylamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-cyano-N-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethylamino]carbamimidothioate Traditional Name: 3-cyano-1-[2-[[4-(dimethylaminomethyl)-2-pyridyl]methylthio]ethylamino]-2-methyl-isothiourea Formula: C14H22N6S2 MolecularWeight: 338.49468

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=NC=C1)CSCCNNC(=NC#N)SC

Isomeric SMILES

CN(C)CC1=CC(=NC=C1)CSCCNNC(=NC#N)SC

InChI

InChI=1S/C14H22N6S2/c1-20(2)9-12-4-5-16-13(8-12)10-22-7-6-18-19-14(21-3)17-11-15/h4-5,8,18H,6-7,9-10H2,1-3H3,(H,17,19)