2-(4-pentan-2-ylpiperazin-1-yl)-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-(4-pentan-2-ylpiperazin-1-yl)-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-(1-methylbutyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 5-[[oxo(thiophen-2-yl)methyl]amino]-2-(4-pentan-2-yl-1-piperazinyl)benzoic acid IUPAC Name: 2-(4-pentan-2-ylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-(1-methylbutyl)piperazino]-5-(2-thenoylamino)benzoic acid Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

CCCC(C)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C21H27N3O3S/c1-3-5-15(2)23-9-11-24(12-10-23)18-8-7-16(14-17(18)21(26)27)22-20(25)19-6-4-13-28-19/h4,6-8,13-15H,3,5,9-12H2,1-2H3,(H,22,25)(H,26,27)