2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S2/c1-13-24-16(14-7-3-2-4-8-14)11-19(25-13)29-12-18(27)26-22-20(21(23)28)15-9-5-6-10-17(15)30-22/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H2,23,28)(H,26,27)