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

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[4-(3-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=C2)Cl)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

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