1-[bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]amino]-3-phenethyl-thiourea

Systemtic Name: 1-[bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]amino]-3-phenethyl-thiourea Openeye Name: 1-[bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]amino]-3-phenethyl-thiourea CAS Name: 1-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-3-phenethylthiourea IUPAC Name: 1-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-3-phenethylthiourea Traditional Name: 1-[bis(3,5-ditert-butyl-4-hydroxy-benzyl)amino]-3-phenethyl-thiourea Formula: C39H57N3O2S MolecularWeight: 631.95378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C39H57N3O2S/c1-36(2,3)29-20-27(21-30(33(29)43)37(4,5)6)24-42(41-35(45)40-19-18-26-16-14-13-15-17-26)25-28-22-31(38(7,8)9)34(44)32(23-28)39(10,11)12/h13-17,20-23,43-44H,18-19,24-25H2,1-12H3,(H2,40,41,45)