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

Systemtic Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[(3-homoveratryl-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H27N3O4S2/c1-13-4-6-15-18(10-13)32-21-20(15)22(28)26(23(25-21)31-12-19(24)27)9-8-14-5-7-16(29-2)17(11-14)30-3/h5,7,11,13H,4,6,8-10,12H2,1-3H3,(H2,24,27)