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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

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