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

Systemtic Name: tert-butyl N-[(1R)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxidanylidene-1-phenyl-ethyl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenyl-ethyl]carbamate CAS Name: N-[(1R)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-oxo-1-phenylethyl]carbamate Traditional Name: N-[(1R)-2-[2-(1,2-benzothiazol-3-ylamino)ethylamino]-2-keto-1-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)NCCNC2=NSC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-22(2,3)29-21(28)25-18(15-9-5-4-6-10-15)20(27)24-14-13-23-19-16-11-7-8-12-17(16)30-26-19/h4-12,18H,13-14H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)/t18-/m1/s1