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

Systemtic Name: N-[2-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]indol-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]indol-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[3-[(2-chloro-6-fluorophenyl)methylthio]-1-indolyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[3-[(2-chloro-6-fluoro-benzyl)thio]indol-1-yl]ethyl]thiophene-2-carboxamide Formula: C22H18ClFN2OS2 MolecularWeight: 444.972523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=CS3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=CS3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H18ClFN2OS2/c23-17-6-3-7-18(24)16(17)14-29-21-13-26(19-8-2-1-5-15(19)21)11-10-25-22(27)20-9-4-12-28-20/h1-9,12-13H,10-11,14H2,(H,25,27)