N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C18H24N4O3S4 MolecularWeight: 472.66816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)SC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)SC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N4O3S4/c1-13-7-8-14(19-16(23)12-27-18-21-20-17(26-2)28-18)11-15(13)29(24,25)22-9-5-3-4-6-10-22/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,23)