methyl N-[2-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbonyl-N'-methyl-carbamimidothioate

Systemtic Name: methyl N-[2-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbonyl-N'-methyl-carbamimidothioate Openeye Name: 2-[(4-fluorophenyl)methylamino]-N-(N-methyl-C-methylsulfanyl-carbonimidoyl)pyridine-3-carboxamide CAS Name: N-[[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-oxomethyl]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[2-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]-N'-methylcarbamimidothioate Traditional Name: 2-[(4-fluorobenzyl)amino]-N-[N-methyl-C-(methylthio)carbonimidoyl]nicotinamide Formula: C16H17FN4OS MolecularWeight: 332.395783

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC(=O)C1=C(N=CC=C1)NCC2=CC=C(C=C2)F)SC

Isomeric SMILES

CN=C(NC(=O)C1=C(N=CC=C1)NCC2=CC=C(C=C2)F)SC

InChI

InChI=1S/C16H17FN4OS/c1-18-16(23-2)21-15(22)13-4-3-9-19-14(13)20-10-11-5-7-12(17)8-6-11/h3-9H,10H2,1-2H3,(H,19,20)(H,18,21,22)