methyl N'-[2-oxidanyl-3-[[3-(piperidin-1-ylmethyl)phenyl]methoxy]propyl]carbamimidothioate

Systemtic Name: methyl N'-[2-oxidanyl-3-[[3-(piperidin-1-ylmethyl)phenyl]methoxy]propyl]carbamimidothioate Openeye Name: 3-[2-hydroxy-3-[[3-(1-piperidylmethyl)phenyl]methoxy]propyl]-2-methyl-isothiourea CAS Name: N'-[2-hydroxy-3-[[3-(1-piperidinylmethyl)phenyl]methoxy]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-hydroxy-3-[[3-(piperidin-1-ylmethyl)phenyl]methoxy]propyl]carbamimidothioate Traditional Name: 3-[2-hydroxy-3-[3-(piperidinomethyl)benzyl]oxy-propyl]-2-methyl-isothiourea Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC(COCC1=CC=CC(=C1)CN2CCCCC2)O)N

Isomeric SMILES

CSC(=NCC(COCC1=CC=CC(=C1)CN2CCCCC2)O)N

InChI

InChI=1S/C18H29N3O2S/c1-24-18(19)20-11-17(22)14-23-13-16-7-5-6-15(10-16)12-21-8-3-2-4-9-21/h5-7,10,17,22H,2-4,8-9,11-14H2,1H3,(H2,19,20)