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

Systemtic Name: tert-butyl N-[[4-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[(2-acetamido-1,3-benzothiazol-6-yl)amino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H24N4O4S/c1-13(27)24-20-26-17-10-9-16(11-18(17)31-20)25-19(28)15-7-5-14(6-8-15)12-23-21(29)30-22(2,3)4/h5-11H,12H2,1-4H3,(H,23,29)(H,25,28)(H,24,26,27)