2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-13-8-10-25(11-9-13)16-7-6-14(12-17(16)26(29)30)21(28)24-22-19(20(23)27)15-4-2-3-5-18(15)31-22/h6-7,12-13H,2-5,8-11H2,1H3,(H2,23,27)(H,24,28)