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

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-keto-3-p-phenetyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C27H20ClF3N4O3S MolecularWeight: 572.98591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl

InChI

InChI=1S/C27H20ClF3N4O3S/c1-2-38-17-10-8-16(9-11-17)35-25(37)24-23(18-5-3-4-6-20(18)33-24)34-26(35)39-14-22(36)32-21-13-15(27(29,30)31)7-12-19(21)28/h3-13,33H,2,14H2,1H3,(H,32,36)