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

Systemtic Name: 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[4-(4-chlorobenzyl)piperazine-1-carbonyl]amino]-5-phenyl-2-thenoic acid Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H22ClN3O3S/c24-18-8-6-16(7-9-18)15-26-10-12-27(13-11-26)23(30)25-19-14-20(31-21(19)22(28)29)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,25,30)(H,28,29)