N-tert-butyl-3-chloranyl-7-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[[3-nitro-4-(1-piperidyl)benzoyl]amino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(3-nitro-4-piperidino-benzoyl)amino]benzothiophene-2-carboxamide Formula: C25H27ClN4O4S MolecularWeight: 515.02428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H27ClN4O4S/c1-25(2,3)28-24(32)22-20(26)16-8-7-9-17(21(16)35-22)27-23(31)15-10-11-18(19(14-15)30(33)34)29-12-5-4-6-13-29/h7-11,14H,4-6,12-13H2,1-3H3,(H,27,31)(H,28,32)