N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S2/c1-2-29-16-8-9-17-18(12-16)31-22(24-17)26-20(28)11-15-10-19(27)25-21(23-15)30-13-14-6-4-3-5-7-14/h3-10,12H,2,11,13H2,1H3,(H,23,25,27)(H,24,26,28)