N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethyl-thiadiazole-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-ethyl-5-thiadiazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-ethylthiadiazole-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethyl-thiadiazole-5-carboxamide Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=C(SN=N1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N4O3S2/c1-3-15-17(26-21-20-15)18(23)19-14-9-8-13(2)16(12-14)27(24,25)22-10-6-4-5-7-11-22/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,23)