1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-3-phenyl-propan-1-one Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCC4=CC=CC=C4

InChI

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