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

Systemtic Name: 1-[(4-aminophenyl)methyl]-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)thiourea Openeye Name: 1-[(4-aminophenyl)methyl]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)thiourea CAS Name: 1-[(4-aminophenyl)methyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)thiourea IUPAC Name: 1-[(4-aminophenyl)methyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)thiourea Traditional Name: 1-(4-aminobenzyl)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)thiourea Formula: C22H31N3OS MolecularWeight: 385.56604

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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

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=S)NCC2=CC=C(C=C2)N

InChI

InChI=1S/C22H31N3OS/c1-21(2,3)17-11-16(12-18(19(17)26)22(4,5)6)25-20(27)24-13-14-7-9-15(23)10-8-14/h7-12,26H,13,23H2,1-6H3,(H2,24,25,27)