2-(2-pyridin-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(2-pyridin-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(2-pyridylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-pyridin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(2-pyridylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H17N3O2S2 MolecularWeight: 347.45508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=CC=CC=N3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=CC=CC=N3)C(=O)N

InChI

InChI=1S/C16H17N3O2S2/c17-15(21)14-10-5-1-2-6-11(10)23-16(14)19-12(20)9-22-13-7-3-4-8-18-13/h3-4,7-8H,1-2,5-6,9H2,(H2,17,21)(H,19,20)