methyl N-cyano-N'-[3-[(1-oxidanylidene-2H-isoquinolin-5-yl)oxy]propyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[3-[(1-oxidanylidene-2H-isoquinolin-5-yl)oxy]propyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[3-[(1-oxo-2H-isoquinolin-5-yl)oxy]propyl]isothiourea CAS Name: N-cyano-N'-[3-[(1-oxo-2H-isoquinolin-5-yl)oxy]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[3-[(1-oxo-2H-isoquinolin-5-yl)oxy]propyl]carbamimidothioate Traditional Name: 1-cyano-3-[3-[(1-keto-2H-isoquinolin-5-yl)oxy]propyl]-2-methyl-isothiourea Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCOC1=CC=CC2=C1C=CNC2=O)NC#N

Isomeric SMILES

CSC(=NCCCOC1=CC=CC2=C1C=CNC2=O)NC#N

InChI

InChI=1S/C15H16N4O2S/c1-22-15(19-10-16)18-7-3-9-21-13-5-2-4-12-11(13)6-8-17-14(12)20/h2,4-6,8H,3,7,9H2,1H3,(H,17,20)(H,18,19)