1-[[4-[[azanyl(thiophen-2-yl)methylidene]amino]phenyl]methyl]-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)thiourea hydrochloride

Systemtic Name: 1-[[4-[[azanyl(thiophen-2-yl)methylidene]amino]phenyl]methyl]-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)thiourea hydrochloride Openeye Name: 1-[[4-[[amino(2-thienyl)methylene]amino]phenyl]methyl]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)thiourea hydrochloride CAS Name: 1-[[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]methyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)thiourea hydrochloride IUPAC Name: 1-[[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]methyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)thiourea hydrochloride Traditional Name: 1-[4-[[amino(2-thienyl)methylene]amino]benzyl]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)thiourea hydrochloride Formula: C27H35ClN4OS2 MolecularWeight: 531.176

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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=C(C3=CC=CS3)N.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC(=S)NCC2=CC=C(C=C2)N=C(C3=CC=CS3)N.Cl

InChI

InChI=1S/C27H34N4OS2.ClH/c1-26(2,3)20-14-19(15-21(23(20)32)27(4,5)6)31-25(33)29-16-17-9-11-18(12-10-17)30-24(28)22-8-7-13-34-22;/h7-15,32H,16H2,1-6H3,(H2,28,30)(H2,29,31,33);1H