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

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-[(4-nitrophenyl)methyl]thiourea Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-[(4-nitrophenyl)methyl]thiourea CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[(4-nitrophenyl)methyl]thiourea IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[(4-nitrophenyl)methyl]thiourea Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-(4-nitrobenzyl)thiourea Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=S)NCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=S)NCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O3S/c1-21(2,3)17-11-15(12-18(19(17)26)22(4,5)6)24-20(29)23-13-14-7-9-16(10-8-14)25(27)28/h7-12,26H,13H2,1-6H3,(H2,23,24,29)