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

Systemtic Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(1-phenylethyl)thiourea Openeye Name: 1-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-3-(1-phenylethyl)thiourea CAS Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(1-phenylethyl)thiourea IUPAC Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(1-phenylethyl)thiourea Traditional Name: 1-[4-(2,4-ditert-amylphenoxy)butyl]-3-(1-phenylethyl)thiourea Formula: C29H44N2OS MolecularWeight: 468.73746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC(C)C2=CC=CC=C2)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC(C)C2=CC=CC=C2)C(C)(C)CC

InChI

InChI=1S/C29H44N2OS/c1-8-28(4,5)24-17-18-26(25(21-24)29(6,7)9-2)32-20-14-13-19-30-27(33)31-22(3)23-15-11-10-12-16-23/h10-12,15-18,21-22H,8-9,13-14,19-20H2,1-7H3,(H2,30,31,33)