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

Systemtic Name: tert-butyl N-[6-[(4-bromanyl-2-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Openeye Name: tert-butyl N-[6-[(4-bromo-2-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate CAS Name: N-[6-[(4-bromo-2-methylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[(4-bromo-2-methylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Traditional Name: N-[6-[(4-bromo-2-methyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H20BrN3O3S/c1-11-9-13(21)6-8-14(11)22-17(25)12-5-7-15-16(10-12)28-18(23-15)24-19(26)27-20(2,3)4/h5-10H,1-4H3,(H,22,25)(H,23,24,26)