3-[[4-(2-chlorophenyl)piperazin-1-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[4-(2-chlorophenyl)piperazin-1-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[4-(2-chlorophenyl)piperazine-1-carbonyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-(2-chlorophenyl)piperazine-1-carbonyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[4-(2-chlorophenyl)piperazine-1-carbonyl]amino]-5-phenyl-2-thenoic acid Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H20ClN3O3S/c23-16-8-4-5-9-18(16)25-10-12-26(13-11-25)22(29)24-17-14-19(30-20(17)21(27)28)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,24,29)(H,27,28)