tert-butyl N-[(2S)-1-phenyl-3-[[(1R)-1-phenylethyl]carbamothioylamino]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-phenyl-3-[[(1R)-1-phenylethyl]carbamothioylamino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[[(1R)-1-phenylethyl]carbamothioylamino]ethyl]carbamate CAS Name: N-[(2S)-1-phenyl-3-[[[[(1R)-1-phenylethyl]amino]-sulfanylidenemethyl]amino]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-phenyl-3-[[(1R)-1-phenylethyl]carbamothioylamino]propan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[[(1R)-1-phenylethyl]thiocarbamoylamino]ethyl]carbamic acid tert-butyl ester Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NCC(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=S)NC[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N3O2S/c1-17(19-13-9-6-10-14-19)25-21(29)24-16-20(15-18-11-7-5-8-12-18)26-22(27)28-23(2,3)4/h5-14,17,20H,15-16H2,1-4H3,(H,26,27)(H2,24,25,29)/t17-,20+/m1/s1