tert-butyl N-[(2S)-1-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-benzyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-benzyl-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C21H24N4O3S/c1-21(2,3)28-20(27)25-16(11-13-7-5-4-6-8-13)18(26)23-14-9-10-15-17(12-14)29-19(22)24-15/h4-10,12,16H,11H2,1-3H3,(H2,22,24)(H,23,26)(H,25,27)/t16-/m0/s1