3-(1,3-benzothiazol-2-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O3S/c25-20(10-9-19-21-17-3-1-2-4-18(17)28-19)23-13-11-22(12-14-23)15-5-7-16(8-6-15)24(26)27/h1-8H,9-14H2