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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide Formula: C22H19ClN4O2S2 MolecularWeight: 470.99486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O2S2/c1-12-16(11-19(28)26-22-25-17-9-8-15(23)10-18(17)31-22)20(29)27-21(24-12)30-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,24,27,29)(H,25,26,28)