S-[(3R,4S)-2-oxidanylidene-1,3-diphenyl-4-(phenylmethyl)azetidin-3-yl] N-methyl-N-(phenylmethyl)carbamothioate

Systemtic Name: S-[(3R,4S)-2-oxidanylidene-1,3-diphenyl-4-(phenylmethyl)azetidin-3-yl] N-methyl-N-(phenylmethyl)carbamothioate Openeye Name: S-[(2S,3R)-2-benzyl-4-oxo-1,3-diphenyl-azetidin-3-yl] N-benzyl-N-methyl-carbamothioate CAS Name: N-methyl-N-(phenylmethyl)carbamothioic acid S-[[(3R,4S)-2-oxo-1,3-diphenyl-4-(phenylmethyl)-3-azetidinyl]] ester IUPAC Name: S-[(2S,3R)-2-benzyl-4-oxo-1,3-diphenylazetidin-3-yl] N-benzyl-N-methylcarbamothioate Traditional Name: N-benzyl-N-methyl-thiocarbamic acid S-[(2S,3R)-2-benzyl-4-keto-1,3-diphenyl-azetidin-3-yl] ester Formula: C31H28N2O2S MolecularWeight: 492.63122

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)SC2(C(N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)S[C@@]2([C@@H](N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H28N2O2S/c1-32(23-25-16-8-3-9-17-25)30(35)36-31(26-18-10-4-11-19-26)28(22-24-14-6-2-7-15-24)33(29(31)34)27-20-12-5-13-21-27/h2-21,28H,22-23H2,1H3/t28-,31+/m0/s1