(phenylmethyl) N-[(1S)-1-phenyl-2-[[(1S)-1-phenylethyl]carbamothioylamino]ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S)-1-phenyl-2-[[(1S)-1-phenylethyl]carbamothioylamino]ethyl]carbamate Openeye Name: benzyl N-[(1S)-1-phenyl-2-[[(1S)-1-phenylethyl]carbamothioylamino]ethyl]carbamate CAS Name: N-[(1S)-1-phenyl-2-[[[[(1S)-1-phenylethyl]amino]-sulfanylidenemethyl]amino]ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S)-1-phenyl-2-[[(1S)-1-phenylethyl]carbamothioylamino]ethyl]carbamate Traditional Name: N-[(1S)-1-phenyl-2-[[(1S)-1-phenylethyl]thiocarbamoylamino]ethyl]carbamic acid benzyl ester Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NCC(C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=S)NC[C@H](C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O2S/c1-19(21-13-7-3-8-14-21)27-24(31)26-17-23(22-15-9-4-10-16-22)28-25(29)30-18-20-11-5-2-6-12-20/h2-16,19,23H,17-18H2,1H3,(H,28,29)(H2,26,27,31)/t19-,23+/m0/s1