methyl N-methyl-N'-propan-2-yl-N-(pyridin-3-ylmethyl)carbamimidothioate

Systemtic Name: methyl N-methyl-N'-propan-2-yl-N-(pyridin-3-ylmethyl)carbamimidothioate Openeye Name: 3-isopropyl-1,2-dimethyl-1-(3-pyridylmethyl)isothiourea CAS Name: N-methyl-N'-propan-2-yl-N-(3-pyridinylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-methyl-N'-propan-2-yl-N-(pyridin-3-ylmethyl)carbamimidothioate Traditional Name: 3-isopropyl-1,2-dimethyl-1-(3-pyridylmethyl)isothiourea Formula: C12H19N3S MolecularWeight: 237.36436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(N(C)CC1=CN=CC=C1)SC

Isomeric SMILES

CC(C)N=C(N(C)CC1=CN=CC=C1)SC

InChI

InChI=1S/C12H19N3S/c1-10(2)14-12(16-4)15(3)9-11-6-5-7-13-8-11/h5-8,10H,9H2,1-4H3