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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-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-(6-chloro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-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-(6-chloro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)propionamide Formula: C22H19ClN4O2S2 MolecularWeight: 470.99486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O2S2/c1-13-16(20(29)27-21(24-13)30-12-14-5-3-2-4-6-14)8-10-19(28)26-22-25-17-9-7-15(23)11-18(17)31-22/h2-7,9,11H,8,10,12H2,1H3,(H,24,27,29)(H,25,26,28)