N-[5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl]piperazine-1-carbothioamide

Systemtic Name: N-[5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl]piperazine-1-carbothioamide Openeye Name: N-[5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl]piperazine-1-carbothioamide CAS Name: N-[5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]thio]-2-methylphenyl]-1-piperazinecarbothioamide IUPAC Name: N-[5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2-methylphenyl]piperazine-1-carbothioamide Traditional Name: N-[5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-4-keto-3H-pyran-5-yl]thio]-2-methyl-phenyl]piperazine-1-carbothioamide Formula: C32H43N3O4S2 MolecularWeight: 597.83152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C(C)C)O)C(C)(C)C)NC(=S)N4CCNCC4

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C(C)C)O)C(C)(C)C)NC(=S)N4CCNCC4

InChI

InChI=1S/C32H43N3O4S2/c1-20(2)32(12-11-22-7-9-23(36)10-8-22)19-26(37)28(29(38)39-32)41-27-17-21(3)25(18-24(27)31(4,5)6)34-30(40)35-15-13-33-14-16-35/h7-10,17-18,20,33,36,38H,11-16,19H2,1-6H3,(H,34,40)