2-[(2-methylphenyl)-methylsulfonyl-amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)ethanamide

Systemtic Name: 2-[(2-methylphenyl)-methylsulfonyl-amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-anilino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-(2-methyl-N-methylsulfonylanilino)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonylanilino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-(N-mesyl-2-methyl-anilino)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C18H19N3O3S3 MolecularWeight: 421.55676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NC2=CC3=C(C=C2)N=C(S3)SC)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NC2=CC3=C(C=C2)N=C(S3)SC)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O3S3/c1-12-6-4-5-7-15(12)21(27(3,23)24)11-17(22)19-13-8-9-14-16(10-13)26-18(20-14)25-2/h4-10H,11H2,1-3H3,(H,19,22)