methyl N-[(6-chloranylpyridin-3-yl)methyl]-N'-methyl-N-propyl-carbamimidothioate

Systemtic Name: methyl N-[(6-chloranylpyridin-3-yl)methyl]-N'-methyl-N-propyl-carbamimidothioate Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-2,3-dimethyl-1-propyl-isothiourea CAS Name: N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-N-propylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(6-chloropyridin-3-yl)methyl]-N'-methyl-N-propylcarbamimidothioate Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-2,3-dimethyl-1-propyl-isothiourea Formula: C12H18ClN3S MolecularWeight: 271.80942

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CN=C(C=C1)Cl)C(=NC)SC

Isomeric SMILES

CCCN(CC1=CN=C(C=C1)Cl)C(=NC)SC

InChI

InChI=1S/C12H18ClN3S/c1-4-7-16(12(14-2)17-3)9-10-5-6-11(13)15-8-10/h5-6,8H,4,7,9H2,1-3H3