1-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-[3-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-[3-[4-[(5-chloro-2-thienyl)methyl]piperazino]phenyl]benzimidazole-5-carboxylic acid Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C3=CC=CC(=C3)N4C=NC5=C4C=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C3=CC=CC(=C3)N4C=NC5=C4C=CC(=C5)C(=O)O

InChI

InChI=1S/C23H21ClN4O2S/c24-22-7-5-19(31-22)14-26-8-10-27(11-9-26)17-2-1-3-18(13-17)28-15-25-20-12-16(23(29)30)4-6-21(20)28/h1-7,12-13,15H,8-11,14H2,(H,29,30)