N-[2-[3-[(3-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[3-[(3-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[(3-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[(3-fluorophenyl)methylthio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[(3-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[(3-fluorobenzyl)thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C24H20FN3O3S MolecularWeight: 449.497303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC(=CC=C4)F

InChI

InChI=1S/C24H20FN3O3S/c25-19-5-3-4-17(14-19)16-32-23-15-27(22-7-2-1-6-21(22)23)13-12-26-24(29)18-8-10-20(11-9-18)28(30)31/h1-11,14-15H,12-13,16H2,(H,26,29)