N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazin-1-yl]carbothioylamino]phenyl]sulfonyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzamide

Systemtic Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazin-1-yl]carbothioylamino]phenyl]sulfonyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzamide Openeye Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-4-(2,2,2-trifluoroethoxy)benzamide CAS Name: N-[4-[[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]sulfonyl-4-(2,2,2-trifluoroethoxy)benzamide IUPAC Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-4-(2,2,2-trifluoroethoxy)benzamide Traditional Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimid[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-4-(2,2,2-trifluoroethoxy)benzamide Formula: C32H30F3N7O6S2 MolecularWeight: 729.74911

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)N=CN=C3N4CCN(CC4)C(=S)NC5=CC=C(C=C5)S(=O)(=O)NC(=O)C6=CC=C(C=C6)OCC(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)N=CN=C3N4CCN(CC4)C(=S)NC5=CC=C(C=C5)S(=O)(=O)NC(=O)C6=CC=C(C=C6)OCC(F)(F)F)OC

InChI

InChI=1S/C32H30F3N7O6S2/c1-46-25-15-23-24(16-26(25)47-2)39-28-27(23)29(37-18-36-28)41-11-13-42(14-12-41)31(49)38-20-5-9-22(10-6-20)50(44,45)40-30(43)19-3-7-21(8-4-19)48-17-32(33,34)35/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,38,49)(H,40,43)(H,36,37,39)