(2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: (2R)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: (2R)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: (2R)-2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butyramide Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC[C@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C19H22N4O2S2/c1-5-15(26-18-20-11(3)9-12(4)21-18)17(24)23-19-22-14-8-7-13(25-6-2)10-16(14)27-19/h7-10,15H,5-6H2,1-4H3,(H,22,23,24)/t15-/m1/s1