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

Systemtic Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-3-(o-tolyl)thiourea CAS Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[4-(2,4-ditert-amylphenoxy)butyl]-3-(o-tolyl)thiourea Formula: C28H42N2OS MolecularWeight: 454.71088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC2=CC=CC=C2C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC2=CC=CC=C2C)C(C)(C)CC

InChI

InChI=1S/C28H42N2OS/c1-8-27(4,5)22-16-17-25(23(20-22)28(6,7)9-2)31-19-13-12-18-29-26(32)30-24-15-11-10-14-21(24)3/h10-11,14-17,20H,8-9,12-13,18-19H2,1-7H3,(H2,29,30,32)