[4-[2-[3-(dimethylamino)propoxy]-3-nitro-quinolin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[2-[3-(dimethylamino)propoxy]-3-nitro-quinolin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[2-[3-(dimethylamino)propoxy]-3-nitro-4-quinolyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[2-[3-(dimethylamino)propoxy]-3-nitro-4-quinolinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[2-[3-(dimethylamino)propoxy]-3-nitroquinolin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[2-[3-(dimethylamino)propoxy]-3-nitro-4-quinolyl]piperazino]-(2-thienyl)methanone Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=NC2=CC=CC=C2C(=C1[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCCOC1=NC2=CC=CC=C2C(=C1[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H27N5O4S/c1-25(2)10-6-15-32-22-21(28(30)31)20(17-7-3-4-8-18(17)24-22)26-11-13-27(14-12-26)23(29)19-9-5-16-33-19/h3-5,7-9,16H,6,10-15H2,1-2H3