3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C23H22N4O2S3 MolecularWeight: 482.64138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C23H22N4O2S3/c1-14-17(21(29)27-22(24-14)31-13-15-6-4-3-5-7-15)9-11-20(28)25-16-8-10-18-19(12-16)32-23(26-18)30-2/h3-8,10,12H,9,11,13H2,1-2H3,(H,25,28)(H,24,27,29)