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

Systemtic Name: [4-[2-(4-methylpentoxy)-3-nitro-quinolin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(2-isohexyloxy-3-nitro-4-quinolyl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[2-(4-methylpentoxy)-3-nitro-4-quinolinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[2-(4-methylpentoxy)-3-nitroquinolin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(2-isohexyloxy-3-nitro-4-quinolyl)piperazino]-(2-thienyl)methanone Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-17(2)7-5-15-32-23-22(28(30)31)21(18-8-3-4-9-19(18)25-23)26-11-13-27(14-12-26)24(29)20-10-6-16-33-20/h3-4,6,8-10,16-17H,5,7,11-15H2,1-2H3