[4-(4-fluorophenyl)carbonylpiperidin-1-yl] N-cyano-N'-methyl-carbamimidothioate

Systemtic Name: [4-(4-fluorophenyl)carbonylpiperidin-1-yl] N-cyano-N'-methyl-carbamimidothioate Openeye Name: 1-cyano-2-[4-(4-fluorobenzoyl)-1-piperidyl]-3-methyl-isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid [4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl] ester IUPAC Name: [4-(4-fluorobenzoyl)piperidin-1-yl] N-cyano-N'-methylcarbamimidothioate Traditional Name: 1-cyano-2-[4-(4-fluorobenzoyl)piperidino]-3-methyl-isothiourea Formula: C15H17FN4OS MolecularWeight: 320.385083

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SN1CCC(CC1)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN=C(NC#N)SN1CCC(CC1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H17FN4OS/c1-18-15(19-10-17)22-20-8-6-12(7-9-20)14(21)11-2-4-13(16)5-3-11/h2-5,12H,6-9H2,1H3,(H,18,19)