tert-butyl N-[3-[5-azanyl-2-(1,3-benzothiazol-2-yl)phenoxy]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[5-azanyl-2-(1,3-benzothiazol-2-yl)phenoxy]propyl]carbamate Openeye Name: tert-butyl N-[3-[5-amino-2-(1,3-benzothiazol-2-yl)phenoxy]propyl]carbamate CAS Name: N-[3-[5-amino-2-(1,3-benzothiazol-2-yl)phenoxy]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[5-amino-2-(1,3-benzothiazol-2-yl)phenoxy]propyl]carbamate Traditional Name: N-[3-[5-amino-2-(1,3-benzothiazol-2-yl)phenoxy]propyl]carbamic acid tert-butyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCOC1=C(C=CC(=C1)N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCOC1=C(C=CC(=C1)N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)27-20(25)23-11-6-12-26-17-13-14(22)9-10-15(17)19-24-16-7-4-5-8-18(16)28-19/h4-5,7-10,13H,6,11-12,22H2,1-3H3,(H,23,25)