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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-13-5-7-15-18(11-13)31-22(19(15)20(23)27)24-21(28)14-6-8-16(17(12-14)26(29)30)25-9-3-2-4-10-25/h6,8,12-13H,2-5,7,9-11H2,1H3,(H2,23,27)(H,24,28)/t13-/m0/s1