methyl N-cyano-N'-(3-isoquinolin-5-yloxypropyl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(3-isoquinolin-5-yloxypropyl)carbamimidothioate Openeye Name: 1-cyano-3-[3-(5-isoquinolyloxy)propyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[3-(5-isoquinolinyloxy)propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(3-isoquinolin-5-yloxypropyl)carbamimidothioate Traditional Name: 1-cyano-3-[3-(5-isoquinolyloxy)propyl]-2-methyl-isothiourea Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCOC1=CC=CC2=C1C=CN=C2)NC#N

Isomeric SMILES

CSC(=NCCCOC1=CC=CC2=C1C=CN=C2)NC#N

InChI

InChI=1S/C15H16N4OS/c1-21-15(19-11-16)18-7-3-9-20-14-5-2-4-12-10-17-8-6-13(12)14/h2,4-6,8,10H,3,7,9H2,1H3,(H,18,19)