[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl] thiocyanate

Systemtic Name: [3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl] thiocyanate Openeye Name: [3-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylcarbamoyl]-4-hydroxy-1-naphthyl] thiocyanate CAS Name: thiocyanic acid [3-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl] ester IUPAC Name: [3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-hydroxynaphthalen-1-yl] thiocyanate Traditional Name: thiocyanic acid [3-[4-(2,4-ditert-amylphenoxy)butylcarbamoyl]-4-hydroxy-1-naphthyl] ester Formula: C32H40N2O3S MolecularWeight: 532.7366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC#N)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC#N)O)C(C)(C)CC

InChI

InChI=1S/C32H40N2O3S/c1-7-31(3,4)22-15-16-27(26(19-22)32(5,6)8-2)37-18-12-11-17-34-30(36)25-20-28(38-21-33)23-13-9-10-14-24(23)29(25)35/h9-10,13-16,19-20,35H,7-8,11-12,17-18H2,1-6H3,(H,34,36)