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

Systemtic Name: tert-butyl N-[[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[(4-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-13-6-5-7-16-17(13)23-19(28-16)24-18(25)15-10-8-14(9-11-15)12-22-20(26)27-21(2,3)4/h5-11H,12H2,1-4H3,(H,22,26)(H,23,24,25)