S-methyl N-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]carbamothioate

Systemtic Name: S-methyl N-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]carbamothioate Openeye Name: S-methyl N-(1,1-dioxo-1,2-benzothiazol-3-yl)carbamothioate CAS Name: N-(1,1-dioxo-1,2-benzothiazol-3-yl)carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-(1,1-dioxo-1,2-benzothiazol-3-yl)carbamothioate Traditional Name: N-(1,1-diketo-1,2-benzothiazol-3-yl)thiocarbamic acid S-methyl ester Formula: C9H8N2O3S2 MolecularWeight: 256.30142

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CSC(=O)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C9H8N2O3S2/c1-15-9(12)10-8-6-4-2-3-5-7(6)16(13,14)11-8/h2-5H,1H3,(H,10,11,12)