2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-5-(2-thenoylamino)benzoic acid Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C24H23N3O4S/c1-16(28)17-4-7-19(8-5-17)26-10-12-27(13-11-26)21-9-6-18(15-20(21)24(30)31)25-23(29)22-3-2-14-32-22/h2-9,14-15H,10-13H2,1H3,(H,25,29)(H,30,31)