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

Systemtic Name: 1-[bis[(3-tert-butyl-4-oxidanyl-phenyl)methyl]amino]-3-phenethyl-thiourea Openeye Name: 1-[bis[(3-tert-butyl-4-hydroxy-phenyl)methyl]amino]-3-phenethyl-thiourea CAS Name: 1-[bis[(3-tert-butyl-4-hydroxyphenyl)methyl]amino]-3-phenethylthiourea IUPAC Name: 1-[bis[(3-tert-butyl-4-hydroxyphenyl)methyl]amino]-3-phenethylthiourea Traditional Name: 1-[bis(3-tert-butyl-4-hydroxy-benzyl)amino]-3-phenethyl-thiourea Formula: C31H41N3O2S MolecularWeight: 519.74114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41N3O2S/c1-30(2,3)25-18-23(12-14-27(25)35)20-34(21-24-13-15-28(36)26(19-24)31(4,5)6)33-29(37)32-17-16-22-10-8-7-9-11-22/h7-15,18-19,35-36H,16-17,20-21H2,1-6H3,(H2,32,33,37)