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

Systemtic Name: tert-butyl N-[[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H25N3O3S/c1-13-10-14(2)18-17(11-13)29-20(24-18)25-19(26)16-8-6-15(7-9-16)12-23-21(27)28-22(3,4)5/h6-11H,12H2,1-5H3,(H,23,27)(H,24,25,26)