tert-butyl N-[(1S)-2-[3-(1,2-benzothiazol-3-ylamino)propylamino]-2-oxidanylidene-1-phenyl-ethyl]carbamate

Systemtic Name: tert-butyl N-[(1S)-2-[3-(1,2-benzothiazol-3-ylamino)propylamino]-2-oxidanylidene-1-phenyl-ethyl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[3-(1,2-benzothiazol-3-ylamino)propylamino]-2-oxo-1-phenyl-ethyl]carbamate CAS Name: N-[(1S)-2-[3-(1,2-benzothiazol-3-ylamino)propylamino]-2-oxo-1-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-2-[3-(1,2-benzothiazol-3-ylamino)propylamino]-2-oxo-1-phenylethyl]carbamate Traditional Name: N-[(1S)-2-[3-(1,2-benzothiazol-3-ylamino)propylamino]-2-keto-1-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)NCCCNC2=NSC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)C(=O)NCCCNC2=NSC3=CC=CC=C32

InChI

InChI=1S/C23H28N4O3S/c1-23(2,3)30-22(29)26-19(16-10-5-4-6-11-16)21(28)25-15-9-14-24-20-17-12-7-8-13-18(17)31-27-20/h4-8,10-13,19H,9,14-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)/t19-/m0/s1