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

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-(3-methoxyphenyl)piperazino]-5-(2-thenoylamino)benzoic acid Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C23H23N3O4S/c1-30-18-5-2-4-17(15-18)25-9-11-26(12-10-25)20-8-7-16(14-19(20)23(28)29)24-22(27)21-6-3-13-31-21/h2-8,13-15H,9-12H2,1H3,(H,24,27)(H,28,29)