4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(5-nitrothiophen-2-yl)butan-1-one

Systemtic Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(5-nitrothiophen-2-yl)butan-1-one Openeye Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(5-nitro-2-thienyl)butan-1-one CAS Name: 4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-1-(5-nitro-2-thiophenyl)-1-butanone IUPAC Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(5-nitrothiophen-2-yl)butan-1-one Traditional Name: 4-[4-(1,2-benzothiazol-3-yl)piperazino]-1-(5-nitro-2-thienyl)butan-1-one Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=NSC4=CC=CC=C43

InChI

InChI=1S/C19H20N4O3S2/c24-15(17-7-8-18(27-17)23(25)26)5-3-9-21-10-12-22(13-11-21)19-14-4-1-2-6-16(14)28-20-19/h1-2,4,6-8H,3,5,9-13H2