methyl N-cyano-N'-[3-(1-piperidin-1-ylisoquinolin-5-yl)oxypropyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[3-(1-piperidin-1-ylisoquinolin-5-yl)oxypropyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[3-[[1-(1-piperidyl)-5-isoquinolyl]oxy]propyl]isothiourea CAS Name: N-cyano-N'-[3-[[1-(1-piperidinyl)-5-isoquinolinyl]oxy]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[3-(1-piperidin-1-ylisoquinolin-5-yl)oxypropyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[3-[(1-piperidino-5-isoquinolyl)oxy]propyl]isothiourea Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCOC1=CC=CC2=C1C=CN=C2N3CCCCC3)NC#N

Isomeric SMILES

CSC(=NCCCOC1=CC=CC2=C1C=CN=C2N3CCCCC3)NC#N

InChI

InChI=1S/C20H25N5OS/c1-27-20(24-15-21)23-10-6-14-26-18-8-5-7-17-16(18)9-11-22-19(17)25-12-3-2-4-13-25/h5,7-9,11H,2-4,6,10,12-14H2,1H3,(H,23,24)