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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)propionamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O2S2/c1-14-18(22(29)27-23(24-14)30-13-16-6-4-3-5-7-16)9-11-21(28)26-17-8-10-19-20(12-17)31-15(2)25-19/h3-8,10,12H,9,11,13H2,1-2H3,(H,26,28)(H,24,27,29)