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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-(2-thenoylamino)benzoic acid Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C19H20N4O3S/c20-6-2-7-22-8-10-23(11-9-22)16-5-4-14(13-15(16)19(25)26)21-18(24)17-3-1-12-27-17/h1,3-5,12-13H,2,7-11H2,(H,21,24)(H,25,26)