N-(1-cyanoethyl)-N-hexadecyl-4-isothiocyanato-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-(1-cyanoethyl)-N-hexadecyl-4-isothiocyanato-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-(1-cyanoethyl)-N-hexadecyl-1-hydroxy-4-isothiocyanato-naphthalene-2-carboxamide CAS Name: N-(1-cyanoethyl)-N-hexadecyl-1-hydroxy-4-isothiocyanato-2-naphthalenecarboxamide IUPAC Name: N-(1-cyanoethyl)-N-hexadecyl-1-hydroxy-4-isothiocyanatonaphthalene-2-carboxamide Traditional Name: N-cetyl-N-(1-cyanoethyl)-1-hydroxy-4-isothiocyanato-2-naphthamide Formula: C31H43N3O2S MolecularWeight: 521.75702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C(C)C#N)C(=O)C1=C(C2=CC=CC=C2C(=C1)N=C=S)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C(C)C#N)C(=O)C1=C(C2=CC=CC=C2C(=C1)N=C=S)O

InChI

InChI=1S/C31H43N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34(25(2)23-32)31(36)28-22-29(33-24-37)26-19-16-17-20-27(26)30(28)35/h16-17,19-20,22,25,35H,3-15,18,21H2,1-2H3