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

Systemtic Name: 5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butanoyl]thiophene-2-carbaldehyde Openeye Name: 5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butanoyl]thiophene-2-carbaldehyde CAS Name: 5-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-1-oxobutyl]-2-thiophenecarboxaldehyde IUPAC Name: 5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butanoyl]thiophene-2-carbaldehyde Traditional Name: 5-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butanoyl]thiophene-2-carbaldehyde Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c24-14-15-7-8-19(26-15)17(25)5-3-9-22-10-12-23(13-11-22)20-16-4-1-2-6-18(16)27-21-20/h1-2,4,6-8,14H,3,5,9-13H2