2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazino]-5-(2-thenoylamino)benzoic acid Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C23H22ClN3O3S/c1-15-4-5-16(24)13-20(15)27-10-8-26(9-11-27)19-7-6-17(14-18(19)23(29)30)25-22(28)21-3-2-12-31-21/h2-7,12-14H,8-11H2,1H3,(H,25,28)(H,29,30)