N-(2,5-dimethylphenyl)-2-[[3-(2,4-dimethylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[[3-(2,4-dimethylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[[3-(2,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[3-(2,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[[3-(2,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[3-(2,4-dimethylphenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C28H29N3O2S2 MolecularWeight: 503.67876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=CC(=C4)C)C)SC5=C3CCCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=CC(=C4)C)C)SC5=C3CCCC5)C

InChI

InChI=1S/C28H29N3O2S2/c1-16-10-12-22(19(4)13-16)31-27(33)25-20-7-5-6-8-23(20)35-26(25)30-28(31)34-15-24(32)29-21-14-17(2)9-11-18(21)3/h9-14H,5-8,15H2,1-4H3,(H,29,32)