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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H20N4O3S3 MolecularWeight: 412.55

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H20N4O3S3/c1-24-16-19-18-15(25-16)17-14(21)12-7-6-8-13(11-12)26(22,23)20-9-4-2-3-5-10-20/h6-8,11H,2-5,9-10H2,1H3,(H,17,18,21)