2-[(5-cyano-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[(5-cyano-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-thienylmethyl)acetamide CAS Name: 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(5-cyano-2-keto-6-methyl-1H-pyrimidin-4-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-thenyl)acetamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)C#N

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)C#N

InChI

InChI=1S/C21H18N4O4S2/c1-13-16(10-22)20(24-21(27)23-13)31-12-19(26)25(11-15-3-2-8-30-15)14-4-5-17-18(9-14)29-7-6-28-17/h2-5,8-9H,6-7,11-12H2,1H3,(H,23,24,27)