2-[2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=O)N1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=O)N1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S2/c1-30-22-24-15(13-7-3-2-4-8-13)11-18(28)26(22)12-17(27)25-21-19(20(23)29)14-9-5-6-10-16(14)31-21/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H2,23,29)(H,25,27)