N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[[4-oxo-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[[6-[[(4-methylphenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[4-keto-6-[(p-tolylthio)methyl]-1H-pyrimidin-2-yl]thio]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C28H24N4O2S3 MolecularWeight: 544.71076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C

InChI

InChI=1S/C28H24N4O2S3/c1-17-3-10-22(11-4-17)35-15-21-14-25(33)32-28(30-21)36-16-26(34)29-20-8-6-19(7-9-20)27-31-23-12-5-18(2)13-24(23)37-27/h3-14H,15-16H2,1-2H3,(H,29,34)(H,30,32,33)