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

Systemtic Name: S-[(3R,4S)-2-oxidanylidene-1,3-diphenyl-4-propan-2-yl-azetidin-3-yl] N-methyl-N-(phenylmethyl)carbamothioate Openeye Name: S-[(2S,3R)-2-isopropyl-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-propan-2-yl-3-azetidinyl]] ester IUPAC Name: S-[(3R,4S)-2-oxo-1,3-diphenyl-4-propan-2-ylazetidin-3-yl] N-benzyl-N-methylcarbamothioate Traditional Name: N-benzyl-N-methyl-thiocarbamic acid S-[(2S,3R)-2-isopropyl-4-keto-1,3-diphenyl-azetidin-3-yl] ester Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C(=O)N1C2=CC=CC=C2)(C3=CC=CC=C3)SC(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@H]1[C@@](C(=O)N1C2=CC=CC=C2)(C3=CC=CC=C3)SC(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2S/c1-20(2)24-27(22-15-9-5-10-16-22,25(30)29(24)23-17-11-6-12-18-23)32-26(31)28(3)19-21-13-7-4-8-14-21/h4-18,20,24H,19H2,1-3H3/t24-,27+/m0/s1