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

Systemtic Name: tert-butyl N-[3-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]phenyl]carbamate CAS Name: N-[3-[[3-(1,3-benzothiazol-2-yl)propylamino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]phenyl]carbamate Traditional Name: N-[3-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]phenyl]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)NC1=CC=CC(=C1)C(=O)NCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)28-21(27)24-16-9-6-8-15(14-16)20(26)23-13-7-12-19-25-17-10-4-5-11-18(17)29-19/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,23,26)(H,24,27)