2-[bis(ethylsulfanyl)methylidene]-3-(6-bromanyl-2-oxidanyl-naphthalen-1-yl)-N-phenyl-butanamide

Systemtic Name: 2-[bis(ethylsulfanyl)methylidene]-3-(6-bromanyl-2-oxidanyl-naphthalen-1-yl)-N-phenyl-butanamide Openeye Name: 2-[bis(ethylsulfanyl)methylene]-3-(6-bromo-2-hydroxy-1-naphthyl)-N-phenyl-butanamide CAS Name: 2-[bis(ethylthio)methylidene]-3-(6-bromo-2-hydroxy-1-naphthalenyl)-N-phenylbutanamide IUPAC Name: 2-[bis(ethylsulfanyl)methylidene]-3-(6-bromo-2-hydroxynaphthalen-1-yl)-N-phenylbutanamide Traditional Name: 2-[1-(6-bromo-2-hydroxy-1-naphthyl)ethyl]-3,3-bis(ethylthio)-N-phenyl-acrylamide Formula: C25H26BrNO2S2 MolecularWeight: 516.51344

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C(C)C1=C(C=CC2=C1C=CC(=C2)Br)O)C(=O)NC3=CC=CC=C3)SCC

Isomeric SMILES

CCSC(=C(C(C)C1=C(C=CC2=C1C=CC(=C2)Br)O)C(=O)NC3=CC=CC=C3)SCC

InChI

InChI=1S/C25H26BrNO2S2/c1-4-30-25(31-5-2)23(24(29)27-19-9-7-6-8-10-19)16(3)22-20-13-12-18(26)15-17(20)11-14-21(22)28/h6-16,28H,4-5H2,1-3H3,(H,27,29)