1,3-benzothiazol-6-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[4-(4-nitrophenyl)piperazino]methanone Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H16N4O3S/c23-18(13-1-6-16-17(11-13)26-12-19-16)21-9-7-20(8-10-21)14-2-4-15(5-3-14)22(24)25/h1-6,11-12H,7-10H2