tert-butyl N-[[5-(tert-butylcarbamoyl)-3-ethanoyl-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[5-(tert-butylcarbamoyl)-3-ethanoyl-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate Openeye Name: tert-butyl N-[[3-acetyl-5-(tert-butylcarbamoyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate CAS Name: N-[[3-acetyl-5-[(tert-butylamino)-oxomethyl]-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-acetyl-5-(tert-butylcarbamoyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamate Traditional Name: N-[[3-acetyl-5-(tert-butylcarbamoyl)-2-phenyl-1,3,4-thiadiazol-2-yl]methyl]carbamic acid tert-butyl ester Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)C(=O)NC(C)(C)C)(CNC(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(SC(=N1)C(=O)NC(C)(C)C)(CNC(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H30N4O4S/c1-14(26)25-21(15-11-9-8-10-12-15,13-22-18(28)29-20(5,6)7)30-17(24-25)16(27)23-19(2,3)4/h8-12H,13H2,1-7H3,(H,22,28)(H,23,27)