tert-butyl N-[4-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Openeye Name: tert-butyl N-[4-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate CAS Name: N-[4-[oxo-(2,4,6-trimethylanilino)methyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Traditional Name: N-[4-(mesitylcarbamoyl)-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=C3C(=CC=C2)SC(=N3)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=C3C(=CC=C2)SC(=N3)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H25N3O3S/c1-12-10-13(2)17(14(3)11-12)23-19(26)15-8-7-9-16-18(15)24-20(29-16)25-21(27)28-22(4,5)6/h7-11H,1-6H3,(H,23,26)(H,24,25,27)