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

Systemtic Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[4-(2,4-ditert-amylphenoxy)butyl]-3-(3-nitrophenyl)thiourea Formula: C27H39N3O3S MolecularWeight: 485.68186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])C(C)(C)CC

InChI

InChI=1S/C27H39N3O3S/c1-7-26(3,4)20-14-15-24(23(18-20)27(5,6)8-2)33-17-10-9-16-28-25(34)29-21-12-11-13-22(19-21)30(31)32/h11-15,18-19H,7-10,16-17H2,1-6H3,(H2,28,29,34)