2-[[3-(3-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[3-(3-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-keto-3-(3-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-phenyl-acetamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3S/c1-32-18-11-7-10-17(14-18)29-24(31)23-22(19-12-5-6-13-20(19)27-23)28-25(29)33-15-21(30)26-16-8-3-2-4-9-16/h2-14,27H,15H2,1H3,(H,26,30)