N-(2-chloranyl-4,6-dimethyl-phenyl)-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-chloranyl-4,6-dimethyl-phenyl)-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-chloro-4,6-dimethyl-phenyl)-2-[[3-(2-furylmethyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-4,6-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-chloro-4,6-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-chloro-4,6-dimethyl-phenyl)-2-[[3-(2-furfuryl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C25H24ClN3O3S2 MolecularWeight: 514.05936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O3S2/c1-14-10-15(2)22(18(26)11-14)27-20(30)13-33-25-28-23-21(17-7-3-4-8-19(17)34-23)24(31)29(25)12-16-6-5-9-32-16/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,27,30)