2-[[3-(4-fluorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide

Systemtic Name: 2-[[3-(4-fluorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[3-(4-fluorophenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-(1-naphthyl)acetamide Formula: C28H19FN4O2S MolecularWeight: 494.539463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)F)NC6=CC=CC=C64

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)F)NC6=CC=CC=C64

InChI

InChI=1S/C28H19FN4O2S/c29-18-12-14-19(15-13-18)33-27(35)26-25(21-9-3-4-10-23(21)31-26)32-28(33)36-16-24(34)30-22-11-5-7-17-6-1-2-8-20(17)22/h1-15,31H,16H2,(H,30,34)