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

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[[3-(4-fluorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[[3-(4-fluorophenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]acetamide Formula: C26H21FN4O4S MolecularWeight: 504.532743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC5=CC=CC=C53)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC5=CC=CC=C53)OC

InChI

InChI=1S/C26H21FN4O4S/c1-34-17-11-12-20(21(13-17)35-2)28-22(32)14-36-26-30-23-18-5-3-4-6-19(18)29-24(23)25(33)31(26)16-9-7-15(27)8-10-16/h3-13,29H,14H2,1-2H3,(H,28,32)