methyl N-cyano-N'-[2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-piperidyl]ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-piperidinyl]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidino]ethyl]-2-methyl-isothiourea Formula: C19H25FN4O2S MolecularWeight: 392.490803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCN1CCC(CC1)C2(OCCO2)C3=CC=C(C=C3)F)NC#N

Isomeric SMILES

CSC(=NCCN1CCC(CC1)C2(OCCO2)C3=CC=C(C=C3)F)NC#N

InChI

InChI=1S/C19H25FN4O2S/c1-27-18(23-14-21)22-8-11-24-9-6-16(7-10-24)19(25-12-13-26-19)15-2-4-17(20)5-3-15/h2-5,16H,6-13H2,1H3,(H,22,23)