N-(2,5-dimethylphenyl)-2-[[3-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-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-furylmethyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[3-(2-furanylmethyl)-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-(furan-2-ylmethyl)-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-furfuryl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CO5

InChI

InChI=1S/C25H25N3O3S2/c1-15-9-10-16(2)19(12-15)26-21(29)14-32-25-27-23-22(18-7-3-4-8-20(18)33-23)24(30)28(25)13-17-6-5-11-31-17/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3,(H,26,29)