1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(4-bromophenyl)thiourea

Systemtic Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(4-bromophenyl)thiourea Openeye Name: 1-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-3-(4-bromophenyl)thiourea CAS Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(4-bromophenyl)thiourea IUPAC Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(4-bromophenyl)thiourea Traditional Name: 1-(4-bromophenyl)-3-[4-(2,4-ditert-amylphenoxy)butyl]thiourea Formula: C27H39BrN2OS MolecularWeight: 519.58036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC2=CC=C(C=C2)Br)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC2=CC=C(C=C2)Br)C(C)(C)CC

InChI

InChI=1S/C27H39BrN2OS/c1-7-26(3,4)20-11-16-24(23(19-20)27(5,6)8-2)31-18-10-9-17-29-25(32)30-22-14-12-21(28)13-15-22/h11-16,19H,7-10,17-18H2,1-6H3,(H2,29,30,32)