2-[[3-(3,4-dimethylphenyl)-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[3-(3,4-dimethylphenyl)-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide CAS Name: 2-[[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[3-(3,4-dimethylphenyl)-7-keto-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]acetamide Formula: C28H24N4O2S3 MolecularWeight: 544.71076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)NCC4=CC=CC=C4)C5=CC=CC=C5)SC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)NCC4=CC=CC=C4)C5=CC=CC=C5)SC2=S)C

InChI

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