methyl N-cyano-N'-[3-(1-morpholin-4-ylisoquinolin-5-yl)oxypropyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[3-(1-morpholin-4-ylisoquinolin-5-yl)oxypropyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[3-[(1-morpholino-5-isoquinolyl)oxy]propyl]isothiourea CAS Name: N-cyano-N'-[3-[[1-(4-morpholinyl)-5-isoquinolinyl]oxy]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[3-(1-morpholin-4-ylisoquinolin-5-yl)oxypropyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[3-[(1-morpholino-5-isoquinolyl)oxy]propyl]isothiourea Formula: C19H23N5O2S MolecularWeight: 385.48322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCOC1=CC=CC2=C1C=CN=C2N3CCOCC3)NC#N

Isomeric SMILES

CSC(=NCCCOC1=CC=CC2=C1C=CN=C2N3CCOCC3)NC#N

InChI

InChI=1S/C19H23N5O2S/c1-27-19(23-14-20)22-7-3-11-26-17-5-2-4-16-15(17)6-8-21-18(16)24-9-12-25-13-10-24/h2,4-6,8H,3,7,9-13H2,1H3,(H,22,23)