S-(2-nitrooxyethyl) N-[2-(diphenylmethyl)sulfinylethanoyl]carbamothioate

Systemtic Name: S-(2-nitrooxyethyl) N-[2-(diphenylmethyl)sulfinylethanoyl]carbamothioate Openeye Name: S-(2-nitrooxyethyl) N-(2-benzhydrylsulfinylacetyl)carbamothioate CAS Name: N-[2-(diphenylmethyl)sulfinyl-1-oxoethyl]carbamothioic acid S-(2-nitrooxyethyl) ester IUPAC Name: S-(2-nitrooxyethyl) N-(2-benzhydrylsulfinylacetyl)carbamothioate Traditional Name: N-(2-benzhydrylsulfinylacetyl)thiocarbamic acid S-(2-nitrooxyethyl) ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NC(=O)SCCO[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NC(=O)SCCO[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S2/c21-16(19-18(22)27-12-11-26-20(23)24)13-28(25)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,19,21,22)