2-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[4-(6-nitro-3-pyridyl)piperazino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H24N6O4S/c21-19(28)18-14-3-1-2-4-15(14)31-20(18)23-17(27)12-24-7-9-25(10-8-24)13-5-6-16(22-11-13)26(29)30/h5-6,11H,1-4,7-10,12H2,(H2,21,28)(H,23,27)