methyl N-[(4,6-dimethylpyridin-2-yl)-(phenylmethyl)amino]-N'-phenyl-carbamimidothioate

Systemtic Name: methyl N-[(4,6-dimethylpyridin-2-yl)-(phenylmethyl)amino]-N'-phenyl-carbamimidothioate Openeye Name: 1-[benzyl-(4,6-dimethyl-2-pyridyl)amino]-2-methyl-3-phenyl-isothiourea CAS Name: N-[(4,6-dimethyl-2-pyridinyl)-(phenylmethyl)amino]-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[benzyl-(4,6-dimethylpyridin-2-yl)amino]-N'-phenylcarbamimidothioate Traditional Name: 1-[benzyl-(4,6-dimethyl-2-pyridyl)amino]-2-methyl-3-phenyl-isothiourea Formula: C22H24N4S MolecularWeight: 376.51776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)N(CC2=CC=CC=C2)NC(=NC3=CC=CC=C3)SC)C

Isomeric SMILES

CC1=CC(=NC(=C1)N(CC2=CC=CC=C2)NC(=NC3=CC=CC=C3)SC)C

InChI

InChI=1S/C22H24N4S/c1-17-14-18(2)23-21(15-17)26(16-19-10-6-4-7-11-19)25-22(27-3)24-20-12-8-5-9-13-20/h4-15H,16H2,1-3H3,(H,24,25)