5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butanoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butanoyl]thiophene-2-carboxylic acid Openeye Name: 5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butanoyl]thiophene-2-carboxylic acid CAS Name: 5-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-1-oxobutyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butanoyl]thiophene-2-carboxylic acid Traditional Name: 5-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butanoyl]-2-thenoic acid Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=C(S2)C(=O)O)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=C(S2)C(=O)O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C20H21N3O3S2/c24-15(17-7-8-18(27-17)20(25)26)5-3-9-22-10-12-23(13-11-22)19-14-4-1-2-6-16(14)28-21-19/h1-2,4,6-8H,3,5,9-13H2,(H,25,26)