N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C21H26N4OS2/c1-5-6-7-15-8-10-17-18(12-15)28-21(24-17)25-19(26)11-9-16-13(2)22-20(27-4)23-14(16)3/h8,10,12H,5-7,9,11H2,1-4H3,(H,24,25,26)