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

Systemtic Name: [3-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylcarbamoyl]-4-oxidanyl-naphthalen-1-yl] thiocyanate Openeye Name: [3-[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propylcarbamoyl]-4-hydroxy-1-naphthyl] thiocyanate CAS Name: thiocyanic acid [3-[[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl] ester IUPAC Name: [3-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylcarbamoyl]-4-hydroxynaphthalen-1-yl] thiocyanate Traditional Name: thiocyanic acid [3-[3-(2,4-ditert-amylphenoxy)propylcarbamoyl]-4-hydroxy-1-naphthyl] ester Formula: C31H38N2O3S MolecularWeight: 518.71002

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H38N2O3S/c1-7-30(3,4)21-14-15-26(25(18-21)31(5,6)8-2)36-17-11-16-33-29(35)24-19-27(37-20-32)22-12-9-10-13-23(22)28(24)34/h9-10,12-15,18-19,34H,7-8,11,16-17H2,1-6H3,(H,33,35)