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

Systemtic Name: methyl N-cyano-N'-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-[[4-(dimethylaminomethyl)-2-pyridyl]methylsulfanyl]ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-[[4-(dimethylaminomethyl)-2-pyridinyl]methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-[[4-(dimethylaminomethyl)-2-pyridyl]methylthio]ethyl]-2-methyl-isothiourea Formula: C14H21N5S2 MolecularWeight: 323.48004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5S2/c1-19(2)9-12-4-5-16-13(8-12)10-21-7-6-17-14(20-3)18-11-15/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,18)