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

Systemtic Name: 4-[(4-chlorophenyl)methylcarbamoyl]-3-methyl-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid Openeye Name: 4-[(4-chlorophenyl)methylcarbamoyl]-3-methyl-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid CAS Name: 4-[[(4-chlorophenyl)methylamino]-oxomethyl]-3-methyl-5-[2-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-[(4-chlorophenyl)methylcarbamoyl]-3-methyl-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid Traditional Name: 4-[(4-chlorobenzyl)carbamoyl]-3-methyl-5-[2-(4-methylpiperazino)phenyl]-2-thenoic acid Formula: C25H26ClN3O3S MolecularWeight: 484.01024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3N4CCN(CC4)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3N4CCN(CC4)C)C(=O)O

InChI

InChI=1S/C25H26ClN3O3S/c1-16-21(24(30)27-15-17-7-9-18(26)10-8-17)23(33-22(16)25(31)32)19-5-3-4-6-20(19)29-13-11-28(2)12-14-29/h3-10H,11-15H2,1-2H3,(H,27,30)(H,31,32)