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

Systemtic Name: tert-butyl N-[6-[(2-bromanyl-3,4,6-trimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Openeye Name: tert-butyl N-[6-[(2-bromo-3,4,6-trimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate CAS Name: N-[6-[(2-bromo-3,4,6-trimethylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[(2-bromo-3,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Traditional Name: N-[6-[(2-bromo-3,4,6-trimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)Br)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)Br)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H24BrN3O3S/c1-11-9-12(2)18(17(23)13(11)3)25-19(27)14-7-8-15-16(10-14)30-20(24-15)26-21(28)29-22(4,5)6/h7-10H,1-6H3,(H,25,27)(H,24,26,28)