4-isothiocyanato-1-oxidanyl-N-[2-[[(E)-2-(2-oxidanylideneethyl)icos-3-enoyl]amino]ethyl]naphthalene-2-carboxamide

Systemtic Name: 4-isothiocyanato-1-oxidanyl-N-[2-[[(E)-2-(2-oxidanylideneethyl)icos-3-enoyl]amino]ethyl]naphthalene-2-carboxamide Openeye Name: 1-hydroxy-4-isothiocyanato-N-[2-[[(E)-2-(2-oxoethyl)icos-3-enoyl]amino]ethyl]naphthalene-2-carboxamide CAS Name: 1-hydroxy-4-isothiocyanato-N-[2-[[(E)-1-oxo-2-(2-oxoethyl)eicos-3-enyl]amino]ethyl]-2-naphthalenecarboxamide IUPAC Name: 1-hydroxy-4-isothiocyanato-N-[2-[[(E)-2-(2-oxoethyl)icos-3-enoyl]amino]ethyl]naphthalene-2-carboxamide Traditional Name: 1-hydroxy-4-isothiocyanato-N-[2-[[(E)-2-(2-ketoethyl)eicos-3-enoyl]amino]ethyl]-2-naphthamide Formula: C36H51N3O4S MolecularWeight: 621.87284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CC(CC=O)C(=O)NCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)N=C=S)O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/C(CC=O)C(=O)NCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)N=C=S)O

InChI

InChI=1S/C36H51N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29(23-26-40)35(42)37-24-25-38-36(43)32-27-33(39-28-44)30-21-18-19-22-31(30)34(32)41/h17-22,26-27,29,41H,2-16,23-25H2,1H3,(H,37,42)(H,38,43)/b20-17+