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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-butyramide Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3S2/c1-2-15(14-10-6-5-7-11-14)16(23)19-17-20-21-18(26-17)27(24,25)22-12-8-3-4-9-13-22/h5-7,10-11,15H,2-4,8-9,12-13H2,1H3,(H,19,20,23)