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

Systemtic Name: 2-[4-(4-methylpentan-2-yl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-(1,3-dimethylbutyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-(4-methylpentan-2-yl)-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-(4-methylpentan-2-yl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-(1,3-dimethylbutyl)piperazino]-5-(2-thenoylamino)benzoic acid Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-15(2)13-16(3)24-8-10-25(11-9-24)19-7-6-17(14-18(19)22(27)28)23-21(26)20-5-4-12-29-20/h4-7,12,14-16H,8-11,13H2,1-3H3,(H,23,26)(H,27,28)