methyl N,N'-dimethyl-N-(1-pyridin-3-ylethyl)carbamimidothioate

Systemtic Name: methyl N,N'-dimethyl-N-(1-pyridin-3-ylethyl)carbamimidothioate Openeye Name: 1,2,3-trimethyl-1-[1-(3-pyridyl)ethyl]isothiourea CAS Name: N,N'-dimethyl-N-[1-(3-pyridinyl)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-dimethyl-N-(1-pyridin-3-ylethyl)carbamimidothioate Traditional Name: 1,2,3-trimethyl-1-[1-(3-pyridyl)ethyl]isothiourea Formula: C11H17N3S MolecularWeight: 223.33778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)N(C)C(=NC)SC

Isomeric SMILES

CC(C1=CN=CC=C1)N(C)C(=NC)SC

InChI

InChI=1S/C11H17N3S/c1-9(10-6-5-7-13-8-10)14(3)11(12-2)15-4/h5-9H,1-4H3