N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-pyrimidylthio)propionamide Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC=CC=N3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC=CC=N3

InChI

InChI=1S/C16H16N4O2S2/c1-2-22-11-4-5-12-13(10-11)24-16(19-12)20-14(21)6-9-23-15-17-7-3-8-18-15/h3-5,7-8,10H,2,6,9H2,1H3,(H,19,20,21)