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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(6-methyl-4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-methyl-4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-keto-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C28H21N3O4S2 MolecularWeight: 527.61404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C28H21N3O4S2/c1-17-24(18-8-4-2-5-9-18)25-26(37-17)30-28(31(27(25)33)20-10-6-3-7-11-20)36-15-23(32)29-19-12-13-21-22(14-19)35-16-34-21/h2-14H,15-16H2,1H3,(H,29,32)