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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propionamide Formula: C18H24N4O3S3 MolecularWeight: 440.60316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=NN=C(S1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N4O3S3/c1-13(26-18-21-20-14(2)27-18)17(23)19-15-7-9-16(10-8-15)28(24,25)22-11-5-3-4-6-12-22/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,23)