N-hexadecyl-4-(2-isothiocyanatoethoxy)-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-hexadecyl-4-(2-isothiocyanatoethoxy)-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-hexadecyl-1-hydroxy-4-(2-isothiocyanatoethoxy)naphthalene-2-carboxamide CAS Name: N-hexadecyl-1-hydroxy-4-(2-isothiocyanatoethoxy)-2-naphthalenecarboxamide IUPAC Name: N-hexadecyl-1-hydroxy-4-(2-isothiocyanatoethoxy)naphthalene-2-carboxamide Traditional Name: N-cetyl-1-hydroxy-4-(2-isothiocyanatoethoxy)-2-naphthamide Formula: C30H44N2O3S MolecularWeight: 512.74696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCN=C=S)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCN=C=S)O

InChI

InChI=1S/C30H44N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-32-30(34)27-23-28(35-22-21-31-24-36)25-18-15-16-19-26(25)29(27)33/h15-16,18-19,23,33H,2-14,17,20-22H2,1H3,(H,32,34)