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

Systemtic Name: 2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

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