tert-butyl N-[1-[5-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanyl-propyl]carbamate

Systemtic Name: tert-butyl N-[1-[5-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanyl-propyl]carbamate Openeye Name: tert-butyl N-[1-[5-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[1-[5-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]-3-(methylthio)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate Traditional Name: N-[1-[5-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)C(CCSC)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)C(CCSC)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H30N4O4S2/c1-13-7-8-15(14(2)11-13)22-17(26)12-31-20-25-24-18(28-20)16(9-10-30-6)23-19(27)29-21(3,4)5/h7-8,11,16H,9-10,12H2,1-6H3,(H,22,26)(H,23,27)