N-(4-methoxyphenyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-methoxyphenyl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-methoxyphenyl)-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-methoxyphenyl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-methoxyphenyl)-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C23H23N3O4S2/c1-30-16-11-9-15(10-12-16)24-22(28)21-17-6-2-3-7-18(17)32-23(21)25-19(27)14-31-20-8-4-5-13-26(20)29/h4-5,8-13H,2-3,6-7,14H2,1H3,(H,24,28)(H,25,27)