2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(2-sulfanylideneethanoyl)piperazin-2-yl]butanethial

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(2-sulfanylideneethanoyl)piperazin-2-yl]butanethial Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(2-thioxoacetyl)piperazin-2-yl]butanethial CAS Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(1-oxo-2-sulfanylideneethyl)-2-piperazinyl]butanethial IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2-sulfanylideneacetyl)piperazin-2-yl]butanethial Traditional Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(2-thioxoacetyl)piperazin-2-yl]thiobutyraldehyde Formula: C24H36N2O2S2 MolecularWeight: 448.68484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=S)C1(CNCCN1C(=O)C=S)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCC(C=S)C1(CNCCN1C(=O)C=S)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C24H36N2O2S2/c1-8-16(13-29)24(15-25-9-10-26(24)20(27)14-30)17-11-18(22(2,3)4)21(28)19(12-17)23(5,6)7/h11-14,16,25,28H,8-10,15H2,1-7H3