N-benzo[e][1,3]benzothiazol-2-yl-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C21H20N4OS2/c1-12-15(13(2)23-20(22-12)27-3)9-11-18(26)24-21-25-19-16-7-5-4-6-14(16)8-10-17(19)28-21/h4-8,10H,9,11H2,1-3H3,(H,24,25,26)