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

Systemtic Name: 2-(4-phenylpiperazin-1-yl)-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-(4-phenylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 5-[[oxo(thiophen-2-yl)methyl]amino]-2-(4-phenyl-1-piperazinyl)benzoic acid IUPAC Name: 2-(4-phenylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-(4-phenylpiperazino)-5-(2-thenoylamino)benzoic acid Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C22H21N3O3S/c26-21(20-7-4-14-29-20)23-16-8-9-19(18(15-16)22(27)28)25-12-10-24(11-13-25)17-5-2-1-3-6-17/h1-9,14-15H,10-13H2,(H,23,26)(H,27,28)