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

Systemtic Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4S/c22-20(28)19-16-3-1-2-4-17(16)31-21(19)23-18(27)13-24-9-11-25(12-10-24)14-5-7-15(8-6-14)26(29)30/h5-8H,1-4,9-13H2,(H2,22,28)(H,23,27)