methyl N-cyano-N'-[3-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[3-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]carbamimidothioate Openeye Name: 1-cyano-3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]propyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]carbamimidothioate Traditional Name: 1-cyano-3-[3-[4-(6-fluoroindoxazen-3-yl)piperidino]propyl]-2-methyl-isothiourea Formula: C18H22FN5OS MolecularWeight: 375.463583

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F)NC#N

Isomeric SMILES

CSC(=NCCCN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F)NC#N

InChI

InChI=1S/C18H22FN5OS/c1-26-18(22-12-20)21-7-2-8-24-9-5-13(6-10-24)17-15-4-3-14(19)11-16(15)25-23-17/h3-4,11,13H,2,5-10H2,1H3,(H,21,22)