S-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]] N-(phenylmethyl)carbamothioate

Systemtic Name: S-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]] N-(phenylmethyl)carbamothioate Openeye Name: S-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)] N-benzylcarbamothioate CAS Name: N-(phenylmethyl)carbamothioic acid S-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)] ester IUPAC Name: S-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)] N-benzylcarbamothioate Traditional Name: N-benzylthiocarbamic acid S-[(1,1-diketo-2,3-dihydrothiophen-3-yl)] ester Formula: C12H13NO3S2 MolecularWeight: 283.36652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CS1(=O)=O)SC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C1C(C=CS1(=O)=O)SC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C12H13NO3S2/c14-12(13-8-10-4-2-1-3-5-10)17-11-6-7-18(15,16)9-11/h1-7,11H,8-9H2,(H,13,14)