methyl N'-(3-isoquinolin-8-yloxypropyl)carbamimidothioate

Systemtic Name: methyl N'-(3-isoquinolin-8-yloxypropyl)carbamimidothioate Openeye Name: 3-[3-(8-isoquinolyloxy)propyl]-2-methyl-isothiourea CAS Name: N'-[3-(8-isoquinolinyloxy)propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(3-isoquinolin-8-yloxypropyl)carbamimidothioate Traditional Name: 3-[3-(8-isoquinolyloxy)propyl]-2-methyl-isothiourea Formula: C14H17N3OS MolecularWeight: 275.36928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3OS/c1-19-14(15)17-7-3-9-18-13-5-2-4-11-6-8-16-10-12(11)13/h2,4-6,8,10H,3,7,9H2,1H3,(H2,15,17)