N-(3-ethanoylphenyl)-2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C20H15FN4O2S MolecularWeight: 394.422103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)F

InChI

InChI=1S/C20H15FN4O2S/c1-11(26)12-3-2-4-14(7-12)24-17(27)9-28-20-19-18(22-10-23-20)15-8-13(21)5-6-16(15)25-19/h2-8,10,25H,9H2,1H3,(H,24,27)