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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S2/c1-12-6-8-13(9-7-12)14(21)17-15-18-19-16(24-15)25(22,23)20-10-4-2-3-5-11-20/h6-9H,2-5,10-11H2,1H3,(H,17,18,21)