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

Systemtic Name: 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H24N4O2S2 MolecularWeight: 452.59226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O2S2/c1-13(30-19-12-17(25-14(2)26-19)15-8-4-3-5-9-15)22(29)27-23-20(21(24)28)16-10-6-7-11-18(16)31-23/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H2,24,28)(H,27,29)