N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-4-isothiocyanato-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-4-isothiocyanato-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propyl]-1-hydroxy-4-isothiocyanato-naphthalene-2-carboxamide CAS Name: N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-1-hydroxy-4-isothiocyanato-2-naphthalenecarboxamide IUPAC Name: N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-1-hydroxy-4-isothiocyanatonaphthalene-2-carboxamide Traditional Name: N-[3-(2,4-ditert-amylphenoxy)propyl]-1-hydroxy-4-isothiocyanato-2-naphthamide 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)N=C=S)O)C(C)(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O3S/c1-7-30(3,4)21-14-15-27(25(18-21)31(5,6)8-2)36-17-11-16-32-29(35)24-19-26(33-20-37)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,32,35)