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

Systemtic Name: (6S)-6-tert-butyl-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-tert-butyl-2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-tert-butyl-2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-tert-butyl-2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-6-tert-butyl-2-[(3-nitro-4-piperidino-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O4S/c1-25(2,3)16-8-9-17-20(14-16)34-24(21(17)22(26)30)27-23(31)15-7-10-18(19(13-15)29(32)33)28-11-5-4-6-12-28/h7,10,13,16H,4-6,8-9,11-12,14H2,1-3H3,(H2,26,30)(H,27,31)/t16-/m0/s1