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

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-fluorophenyl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-[(4-fluorophenyl)thio]-1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-fluorophenyl)sulfanyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(4-fluorophenyl)thio]-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C20H19FN4O3S2 MolecularWeight: 446.518263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C20H19FN4O3S2/c21-14-1-4-16(5-2-14)29-12-7-19(26)23-8-10-24(11-9-23)20-22-17-6-3-15(25(27)28)13-18(17)30-20/h1-6,13H,7-12H2