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

Systemtic Name: 2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-[(6-methylpyrimidin-4-yl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H20N4O2S2 MolecularWeight: 376.4963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S2/c1-10-8-14(20-9-19-10)24-7-6-13(22)21-17-15(16(18)23)11-4-2-3-5-12(11)25-17/h8-9H,2-7H2,1H3,(H2,18,23)(H,21,22)