N-(1,3-benzodioxol-5-yl)-2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C23H19N3O4S2 MolecularWeight: 465.54466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

InChI

InChI=1S/C23H19N3O4S2/c1-13-14(2)32-21-20(13)22(28)26(16-6-4-3-5-7-16)23(25-21)31-11-19(27)24-15-8-9-17-18(10-15)30-12-29-17/h3-10H,11-12H2,1-2H3,(H,24,27)