N-[2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]ethyl]-4-ethoxy-benzamide

Systemtic Name: N-[2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]ethyl]-4-ethoxy-benzamide Openeye Name: N-[2-[3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]indol-1-yl]ethyl]-4-ethoxy-benzamide CAS Name: N-[2-[3-[(2-chloro-6-fluorophenyl)methylthio]-1-indolyl]ethyl]-4-ethoxybenzamide IUPAC Name: N-[2-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-ethoxybenzamide Traditional Name: N-[2-[3-[(2-chloro-6-fluoro-benzyl)thio]indol-1-yl]ethyl]-4-ethoxy-benzamide Formula: C26H24ClFN2O2S MolecularWeight: 482.997363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C26H24ClFN2O2S/c1-2-32-19-12-10-18(11-13-19)26(31)29-14-15-30-16-25(20-6-3-4-9-24(20)30)33-17-21-22(27)7-5-8-23(21)28/h3-13,16H,2,14-15,17H2,1H3,(H,29,31)