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

Systemtic Name: 4-[(4-chlorophenyl)methylcarbamoyl]-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid Openeye Name: 4-[(4-chlorophenyl)methylcarbamoyl]-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid CAS Name: 4-[[(4-chlorophenyl)methylamino]-oxomethyl]-5-[2-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-[(4-chlorophenyl)methylcarbamoyl]-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid Traditional Name: 4-[(4-chlorobenzyl)carbamoyl]-5-[2-(4-methylpiperazino)phenyl]-2-thenoic acid Formula: C24H24ClN3O3S MolecularWeight: 469.98366

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2C3=C(C=C(S3)C(=O)O)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2C3=C(C=C(S3)C(=O)O)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN3O3S/c1-27-10-12-28(13-11-27)20-5-3-2-4-18(20)22-19(14-21(32-22)24(30)31)23(29)26-15-16-6-8-17(25)9-7-16/h2-9,14H,10-13,15H2,1H3,(H,26,29)(H,30,31)