4-tert-butyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-tert-butyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-tert-butyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-tert-butyl-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-tert-butyl-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S2/c1-21(2,3)16-11-9-15(10-12-16)18(26)22-19-23-24-20(28-19)27-13-17(25)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,23,26)