4-tert-butyl-N-[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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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)NC3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3CCCCC3

InChI

InChI=1S/C21H28N4O2S2/c1-21(2,3)15-11-9-14(10-12-15)18(27)23-19-24-25-20(29-19)28-13-17(26)22-16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H,22,26)(H,23,24,27)