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: 1-isopropyl-1,2-dimethyl-3-(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: 1-isopropyl-1,2-dimethyl-3-(3-pyridylmethyl)isothiourea Formula: C12H19N3S MolecularWeight: 237.36436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=NCC1=CN=CC=C1)SC

Isomeric SMILES

CC(C)N(C)C(=NCC1=CN=CC=C1)SC

InChI

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