N-methyl-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-methyl-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-benzyl-N-methyl-acetamide CAS Name: N-methyl-2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-methyl-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-benzyl-N-methyl-acetamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N(C)CC4=CC=CC=C4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)N(C)CC4=CC=CC=C4)CC=C

InChI

InChI=1S/C26H25N3O2S2/c1-4-14-29-25(31)23-21(20-12-10-18(2)11-13-20)16-32-24(23)27-26(29)33-17-22(30)28(3)15-19-8-6-5-7-9-19/h4-13,16H,1,14-15,17H2,2-3H3