1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-(phenylmethyl)-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1-(phenylmethyl)-3-prop-2-enyl-thiourea Openeye Name: 3-allyl-1-benzyl-1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]thiourea CAS Name: 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-(phenylmethyl)-3-prop-2-enylthiourea IUPAC Name: 1-benzyl-1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-prop-2-enylthiourea Traditional Name: 3-allyl-1-benzyl-1-(3,5-ditert-butyl-4-hydroxy-benzyl)thiourea Formula: C26H36N2OS MolecularWeight: 424.64184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(CC2=CC=CC=C2)C(=S)NCC=C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(CC2=CC=CC=C2)C(=S)NCC=C

InChI

InChI=1S/C26H36N2OS/c1-8-14-27-24(30)28(17-19-12-10-9-11-13-19)18-20-15-21(25(2,3)4)23(29)22(16-20)26(5,6)7/h8-13,15-16,29H,1,14,17-18H2,2-7H3,(H,27,30)