2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-(2,4-dimethylphenyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H20N4O2S3 MolecularWeight: 492.6362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=NC5=CC=CC=C5S4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=NC5=CC=CC=C5S4)C)C

InChI

InChI=1S/C24H20N4O2S3/c1-12-8-9-15(13(2)10-12)25-22(30)20-14(3)19-21(29)27-18(28-23(19)33-20)11-31-24-26-16-6-4-5-7-17(16)32-24/h4-10H,11H2,1-3H3,(H,25,30)(H,27,28,29)