tert-butyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]thiocarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H25ClN4O4S/c1-13-16(17(24-30-13)14-7-5-6-8-15(14)22)18(27)23-19(31)25-9-11-26(12-10-25)20(28)29-21(2,3)4/h5-8H,9-12H2,1-4H3,(H,23,27,31)