1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylacetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]acetyl]amino]-3-phenyl-thiourea Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O2S2/c1-22(2,3)17-12-16(13-18(20(17)28)23(4,5)6)30-14-19(27)25-26-21(29)24-15-10-8-7-9-11-15/h7-13,28H,14H2,1-6H3,(H,25,27)(H2,24,26,29)