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

Systemtic Name: 2-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[[3-(3,5-dimethylphenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C27H21F3N4O3S MolecularWeight: 538.54085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=C(C=C5)OC(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=C(C=C5)OC(F)(F)F)C

InChI

InChI=1S/C27H21F3N4O3S/c1-15-11-16(2)13-18(12-15)34-25(36)24-23(20-5-3-4-6-21(20)32-24)33-26(34)38-14-22(35)31-17-7-9-19(10-8-17)37-27(28,29)30/h3-13,32H,14H2,1-2H3,(H,31,35)