N-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]-3-nitro-benzamide Openeye Name: N-[2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-3-nitro-benzamide CAS Name: N-[2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-3-nitrobenzamide Traditional Name: N-[2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]-3-nitro-benzamide Formula: C20H18N4O5S2 MolecularWeight: 458.51072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC=C)C

InChI

InChI=1S/C20H18N4O5S2/c1-4-8-23-19(27)16-11(2)12(3)31-18(16)22-20(23)30-10-15(25)21-17(26)13-6-5-7-14(9-13)24(28)29/h4-7,9H,1,8,10H2,2-3H3,(H,21,25,26)