N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[4-[[4-(dimethylamino)-2-quinolinyl]amino]cyclohexyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[4-[[4-(dimethylamino)-2-quinolyl]amino]cyclohexyl]-5-nitro-thiophene-2-carboxamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3S/c1-26(2)18-13-20(25-17-6-4-3-5-16(17)18)23-14-7-9-15(10-8-14)24-22(28)19-11-12-21(31-19)27(29)30/h3-6,11-15H,7-10H2,1-2H3,(H,23,25)(H,24,28)