N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1,3,4-thiadiazol-2-ylthio)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,3,4-thiadiazol-2-ylthio)acetamide Formula: C17H22N4O3S3 MolecularWeight: 426.57658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S3/c1-13-6-7-14(19-16(22)11-25-17-20-18-12-26-17)10-15(13)27(23,24)21-8-4-2-3-5-9-21/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,19,22)