N-[1,1-bis(oxidanylidene)thian-4-yl]-2-methylsulfanyl-1,3-benzothiazol-6-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)thian-4-yl]-2-methylsulfanyl-1,3-benzothiazol-6-amine Openeye Name: N-(1,1-dioxothian-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine CAS Name: N-(1,1-dioxo-4-thianyl)-2-(methylthio)-1,3-benzothiazol-6-amine IUPAC Name: N-(1,1-dioxothian-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine Traditional Name: (1,1-diketothian-4-yl)-[2-(methylthio)-1,3-benzothiazol-6-yl]amine Formula: C13H16N2O2S3 MolecularWeight: 328.47334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC3CCS(=O)(=O)CC3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC3CCS(=O)(=O)CC3

InChI

InChI=1S/C13H16N2O2S3/c1-18-13-15-11-3-2-10(8-12(11)19-13)14-9-4-6-20(16,17)7-5-9/h2-3,8-9,14H,4-7H2,1H3