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

Systemtic Name: 5-[2-(4-methylpiperazin-1-yl)phenyl]-4-(phenethylcarbamoyl)thiophene-2-carboxylic acid Openeye Name: 5-[2-(4-methylpiperazin-1-yl)phenyl]-4-(phenethylcarbamoyl)thiophene-2-carboxylic acid CAS Name: 5-[2-(4-methyl-1-piperazinyl)phenyl]-4-[oxo-(phenethylamino)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-(4-methylpiperazin-1-yl)phenyl]-4-(phenethylcarbamoyl)thiophene-2-carboxylic acid Traditional Name: 5-[2-(4-methylpiperazino)phenyl]-4-(phenethylcarbamoyl)-2-thenoic acid Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2C3=C(C=C(S3)C(=O)O)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2C3=C(C=C(S3)C(=O)O)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-27-13-15-28(16-14-27)21-10-6-5-9-19(21)23-20(17-22(32-23)25(30)31)24(29)26-12-11-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,26,29)(H,30,31)