(phenylmethyl) N-[(1S,2S)-2-(ethylcarbamothioylamino)-1,2-diphenyl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S,2S)-2-(ethylcarbamothioylamino)-1,2-diphenyl-ethyl]carbamate Openeye Name: benzyl N-[(1S,2S)-2-(ethylcarbamothioylamino)-1,2-diphenyl-ethyl]carbamate CAS Name: N-[(1S,2S)-2-[[ethylamino(sulfanylidene)methyl]amino]-1,2-diphenylethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S,2S)-2-(ethylcarbamothioylamino)-1,2-diphenylethyl]carbamate Traditional Name: N-[(1S,2S)-2-(ethylthiocarbamoylamino)-1,2-diphenyl-ethyl]carbamic acid benzyl ester Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2S/c1-2-26-24(31)27-22(20-14-8-4-9-15-20)23(21-16-10-5-11-17-21)28-25(29)30-18-19-12-6-3-7-13-19/h3-17,22-23H,2,18H2,1H3,(H,28,29)(H2,26,27,31)/t22-,23-/m0/s1