tert-butyl N-[(2S)-1-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-1-benzyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-1-benzyl-2-keto-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(CC1=CC=CC=C1)C(=O)NCCNC2=NSC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCNC2=NSC3=CC=CC=C32

InChI

InChI=1S/C23H28N4O3S/c1-23(2,3)30-22(29)26-18(15-16-9-5-4-6-10-16)21(28)25-14-13-24-20-17-11-7-8-12-19(17)31-27-20/h4-12,18H,13-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)/t18-/m0/s1