3-[butan-2-yl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[butan-2-yl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-sec-butyl-amino]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[butan-2-yl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[butan-2-yl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]-sec-butyl-amino]-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C26H31FN6O3S MolecularWeight: 526.626143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NS3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCC(C)N(CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NS3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN6O3S/c1-3-19(2)32(26-28-24(29-37-26)18-20-4-6-21(27)7-5-20)13-12-25(34)31-16-14-30(15-17-31)22-8-10-23(11-9-22)33(35)36/h4-11,19H,3,12-18H2,1-2H3