3-(azepan-1-ylsulfonyl)-4-methyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H22N4O3S3 MolecularWeight: 426.57658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H22N4O3S3/c1-12-7-8-13(15(22)18-16-19-20-17(25-2)26-16)11-14(12)27(23,24)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19,22)