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

Systemtic Name: N-[2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]ethyl]-2-methoxy-benzamide Openeye Name: N-[2-[3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]indol-1-yl]ethyl]-2-methoxy-benzamide CAS Name: N-[2-[3-[(2-chloro-6-fluorophenyl)methylthio]-1-indolyl]ethyl]-2-methoxybenzamide IUPAC Name: N-[2-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-2-methoxybenzamide Traditional Name: N-[2-[3-[(2-chloro-6-fluoro-benzyl)thio]indol-1-yl]ethyl]-2-methoxy-benzamide Formula: C25H22ClFN2O2S MolecularWeight: 468.970783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H22ClFN2O2S/c1-31-23-12-5-3-8-18(23)25(30)28-13-14-29-15-24(17-7-2-4-11-22(17)29)32-16-19-20(26)9-6-10-21(19)27/h2-12,15H,13-14,16H2,1H3,(H,28,30)