O-(phenylmethyl) N-[4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioate

Systemtic Name: O-(phenylmethyl) N-[4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioate Openeye Name: O-benzyl N-(4-chloro-1,1-dioxo-thiolan-3-yl)carbamothioate CAS Name: N-(4-chloro-1,1-dioxo-3-thiolanyl)carbamothioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl N-(4-chloro-1,1-dioxothiolan-3-yl)carbamothioate Traditional Name: N-(4-chloro-1,1-diketo-thiolan-3-yl)thiocarbamic acid O-benzyl ester Formula: C12H14ClNO3S2 MolecularWeight: 319.82746

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1(=O)=O)Cl)NC(=S)OCC2=CC=CC=C2

Isomeric SMILES

C1C(C(CS1(=O)=O)Cl)NC(=S)OCC2=CC=CC=C2

InChI

InChI=1S/C12H14ClNO3S2/c13-10-7-19(15,16)8-11(10)14-12(18)17-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,18)