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

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

CCCC(NC(=O)C1=C(C2=CC=CC=C2C(=C1)SC#N)O)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCCC(NC(=O)C1=C(C2=CC=CC=C2C(=C1)SC#N)O)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C32H40N2O3S/c1-8-13-28(37-26-17-16-21(31(4,5)9-2)18-25(26)32(6,7)10-3)34-30(36)24-19-27(38-20-33)22-14-11-12-15-23(22)29(24)35/h11-12,14-19,28,35H,8-10,13H2,1-7H3,(H,34,36)