2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)ethanamide

Systemtic Name: 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C19H19N3O4S3 MolecularWeight: 449.56686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S3/c1-12(23)13-4-7-15(8-5-13)29(25,26)22(2)11-18(24)20-14-6-9-16-17(10-14)28-19(21-16)27-3/h4-10H,11H2,1-3H3,(H,20,24)