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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O2S2/c1-14-25-17(15-7-3-2-4-8-15)13-20(26-14)30-12-11-19(28)27-23-21(22(24)29)16-9-5-6-10-18(16)31-23/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,24,29)(H,27,28)