2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[3-methyl-4-(m-tolyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[3-methyl-4-(m-tolyl)piperazino]-5-(2-thenoylamino)benzoic acid Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C24H25N3O3S/c1-16-5-3-6-19(13-16)27-11-10-26(15-17(27)2)21-9-8-18(14-20(21)24(29)30)25-23(28)22-7-4-12-31-22/h3-9,12-14,17H,10-11,15H2,1-2H3,(H,25,28)(H,29,30)