2-[[5-(2-oxidanylideneazepan-3-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[5-(2-oxidanylideneazepan-3-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-(2-oxoazepan-3-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-[(2-oxo-3-azepanyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-(2-oxoazepan-3-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-[(2-ketoazepan-3-yl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-propyl-acetamide Formula: C13H20N4O2S3 MolecularWeight: 360.5185

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(S1)SC2CCCCNC2=O

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(S1)SC2CCCCNC2=O

InChI

InChI=1S/C13H20N4O2S3/c1-2-6-14-10(18)8-20-12-16-17-13(22-12)21-9-5-3-4-7-15-11(9)19/h9H,2-8H2,1H3,(H,14,18)(H,15,19)