1-[3-(dimethylamino)propyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 1-[3-(dimethylamino)propyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid Openeye Name: 1-[3-(dimethylamino)propyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid CAS Name: 1-[3-(dimethylamino)propyl]-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 1-[3-(dimethylamino)propyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid Traditional Name: 1-[3-(dimethylamino)propyl]-2-keto-4-[4-(2-thenoyl)piperazino]-1,8-naphthyridine-3-carboxylic acid Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=C(C=CC=N2)C(=C(C1=O)C(=O)O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCCN1C2=C(C=CC=N2)C(=C(C1=O)C(=O)O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

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