N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methylthiazol-2-yl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(4-methyl-2-thiazolyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-methylthiazol-2-yl)thio]acetamide Formula: C19H25N3O3S3 MolecularWeight: 439.6151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CS2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CS2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H25N3O3S3/c1-14-7-8-16(21-18(23)13-27-19-20-15(2)12-26-19)11-17(14)28(24,25)22-9-5-3-4-6-10-22/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,21,23)