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

Systemtic Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazin-1-yl]carbothioylamino]phenyl]sulfonyl-4-oxidanyl-benzamide Openeye Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-4-hydroxy-benzamide CAS Name: N-[4-[[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]sulfonyl-4-hydroxybenzamide IUPAC Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-4-hydroxybenzamide Traditional Name: N-[4-[[4-(6,7-dimethoxy-9H-pyrimid[4,5-b]indol-4-yl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-4-hydroxy-benzamide Formula: C30H29N7O6S2 MolecularWeight: 647.72456

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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)O)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)O)OC

InChI

InChI=1S/C30H29N7O6S2/c1-42-24-15-22-23(16-25(24)43-2)34-27-26(22)28(32-17-31-27)36-11-13-37(14-12-36)30(44)33-19-5-9-21(10-6-19)45(40,41)35-29(39)18-3-7-20(38)8-4-18/h3-10,15-17,38H,11-14H2,1-2H3,(H,33,44)(H,35,39)(H,31,32,34)