ethyl 2-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)carbamothioyl]amino]ethanoate

Systemtic Name: ethyl 2-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)carbamothioyl]amino]ethanoate Openeye Name: ethyl 2-[[3-imidazol-1-ylpropyl(3-pyridylmethyl)carbamothioyl]amino]acetate CAS Name: 2-[[[3-(1-imidazolyl)propyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)carbamothioyl]amino]acetate Traditional Name: 2-[[3-imidazol-1-ylpropyl(3-pyridylmethyl)thiocarbamoyl]amino]acetic acid ethyl ester Formula: C17H23N5O2S MolecularWeight: 361.46182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N(CCCN1C=CN=C1)CC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CNC(=S)N(CCCN1C=CN=C1)CC2=CN=CC=C2

InChI

InChI=1S/C17H23N5O2S/c1-2-24-16(23)12-20-17(25)22(13-15-5-3-6-18-11-15)9-4-8-21-10-7-19-14-21/h3,5-7,10-11,14H,2,4,8-9,12-13H2,1H3,(H,20,25)