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

Systemtic Name: tert-butyl N-[4-methyl-6-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Openeye Name: tert-butyl N-[4-methyl-6-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate CAS Name: N-[4-methyl-6-[oxo-(2,4,6-trimethylanilino)methyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-methyl-6-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Traditional Name: N-[6-(mesitylcarbamoyl)-4-methyl-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-12-8-13(2)18(14(3)9-12)24-20(27)16-10-15(4)19-17(11-16)30-21(25-19)26-22(28)29-23(5,6)7/h8-11H,1-7H3,(H,24,27)(H,25,26,28)