ethyl 4-[3-[butan-2-yl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[butan-2-yl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-sec-butyl-amino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[butan-2-yl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[butan-2-yl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]-sec-butyl-amino]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H32FN5O3S MolecularWeight: 477.595283

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCC(=O)N1CCN(CC1)C(=O)OCC)C2=NC(=NS2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)N(CCC(=O)N1CCN(CC1)C(=O)OCC)C2=NC(=NS2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H32FN5O3S/c1-4-17(3)29(22-25-20(26-33-22)16-18-6-8-19(24)9-7-18)11-10-21(30)27-12-14-28(15-13-27)23(31)32-5-2/h6-9,17H,4-5,10-16H2,1-3H3