2-[2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H24N4O5S3 MolecularWeight: 496.62336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)C(=O)N

InChI

InChI=1S/C20H24N4O5S3/c21-19(26)18-14-3-1-2-4-15(14)31-20(18)23-16(25)12-30-17-6-5-13(11-22-17)32(27,28)24-7-9-29-10-8-24/h5-6,11H,1-4,7-10,12H2,(H2,21,26)(H,23,25)