4-tert-butyl-N-[3-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]-1-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]propanoyl]benzamide Formula: C20H27N3O2S3 MolecularWeight: 437.64228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)SCCC(=O)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCSC1=NN=C(S1)SCCC(=O)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H27N3O2S3/c1-5-6-12-26-18-22-23-19(28-18)27-13-11-16(24)21-17(25)14-7-9-15(10-8-14)20(2,3)4/h7-10H,5-6,11-13H2,1-4H3,(H,21,24,25)