N-(4-methyl-1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide Traditional Name: 2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CC3=C(NC(=NC3=O)SC(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CC3=C(NC(=NC3=O)SC(C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H22N4O2S2/c1-13-8-7-11-18-20(13)26-23(31-18)25-19(28)12-17-14(2)24-22(27-21(17)29)30-15(3)16-9-5-4-6-10-16/h4-11,15H,12H2,1-3H3,(H,24,27,29)(H,25,26,28)