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

Systemtic Name: N-[2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methoxy-benzamide Openeye Name: N-[2-[3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methoxy-benzamide CAS Name: N-[2-[3-[(2-chloro-6-fluorophenyl)methylthio]-1-indolyl]ethyl]-4-methoxybenzamide IUPAC Name: N-[2-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-methoxybenzamide Traditional Name: N-[2-[3-[(2-chloro-6-fluoro-benzyl)thio]indol-1-yl]ethyl]-4-methoxy-benzamide Formula: C25H22ClFN2O2S MolecularWeight: 468.970783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=C(C=CC=C4Cl)F

InChI

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