methyl N-cyano-N'-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-2-methyl-isothiourea Formula: C17H21FN4OS MolecularWeight: 348.438243

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCN1CCC(CC1)C(=O)C2=CC=C(C=C2)F)NC#N

Isomeric SMILES

CSC(=NCCN1CCC(CC1)C(=O)C2=CC=C(C=C2)F)NC#N

InChI

InChI=1S/C17H21FN4OS/c1-24-17(21-12-19)20-8-11-22-9-6-14(7-10-22)16(23)13-2-4-15(18)5-3-13/h2-5,14H,6-11H2,1H3,(H,20,21)