N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfonylphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-isopropylsulfonylphenyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C19H20N2O3S3 MolecularWeight: 420.5687

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C19H20N2O3S3/c1-12(2)27(23,24)15-7-4-13(5-8-15)10-18(22)20-14-6-9-16-17(11-14)26-19(21-16)25-3/h4-9,11-12H,10H2,1-3H3,(H,20,22)