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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)28-21(27)23-13-15-9-11-16(12-10-15)20(26)25(4)14-19-24-17-7-5-6-8-18(17)29-19/h5-12H,13-14H2,1-4H3,(H,23,27)