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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(azepan-1-ylsulfonyl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-(azepan-1-ylsulfonyl)-4-methyl-benzamide Formula: C19H24N4O3S3 MolecularWeight: 452.61386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S3/c1-3-12-27-19-22-21-18(28-19)20-17(24)15-9-8-14(2)16(13-15)29(25,26)23-10-6-4-5-7-11-23/h3,8-9,13H,1,4-7,10-12H2,2H3,(H,20,21,24)