1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-nitro-phenyl]ethanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-14(25)15-6-7-17(18(12-15)24(26)27)23-10-8-22(9-11-23)13-20-21-16-4-2-3-5-19(16)28-20/h2-7,12H,8-11,13H2,1H3