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

Systemtic Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]thiourea CAS Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]thiourea Traditional Name: 1-benzyl-3-[4-(2,4-ditert-amylphenoxy)butyl]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)NCC2=CC=CC=C2)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NCC2=CC=CC=C2)C(C)(C)CC

InChI

InChI=1S/C28H42N2OS/c1-7-27(3,4)23-16-17-25(24(20-23)28(5,6)8-2)31-19-13-12-18-29-26(32)30-21-22-14-10-9-11-15-22/h9-11,14-17,20H,7-8,12-13,18-19,21H2,1-6H3,(H2,29,30,32)