ethyl 2-[[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamothioyl]amino]ethanoate

Systemtic Name: ethyl 2-[[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamothioyl]amino]ethanoate Openeye Name: ethyl 2-[[3-morpholinopropyl(4-pyridylmethyl)carbamothioyl]amino]acetate CAS Name: 2-[[[3-(4-morpholinyl)propyl-(pyridin-4-ylmethyl)amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamothioyl]amino]acetate Traditional Name: 2-[[3-morpholinopropyl(4-pyridylmethyl)thiocarbamoyl]amino]acetic acid ethyl ester Formula: C18H28N4O3S MolecularWeight: 380.50492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N(CCCN1CCOCC1)CC2=CC=NC=C2

Isomeric SMILES

CCOC(=O)CNC(=S)N(CCCN1CCOCC1)CC2=CC=NC=C2

InChI

InChI=1S/C18H28N4O3S/c1-2-25-17(23)14-20-18(26)22(15-16-4-6-19-7-5-16)9-3-8-21-10-12-24-13-11-21/h4-7H,2-3,8-15H2,1H3,(H,20,26)