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

Systemtic Name: tert-butyl N-[6-[(2,6-dimethyl-4-phenyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Openeye Name: tert-butyl N-[6-[(2,6-dimethyl-4-phenyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate CAS Name: N-[6-[(2,6-dimethyl-4-phenylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[(2,6-dimethyl-4-phenylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Traditional Name: N-[6-[(2,6-dimethyl-4-phenyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-16-13-20(18-9-7-6-8-10-18)14-17(2)23(16)29-24(31)19-11-12-21-22(15-19)34-25(28-21)30-26(32)33-27(3,4)5/h6-15H,1-5H3,(H,29,31)(H,28,30,32)