1-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C28H21N7O5S2 MolecularWeight: 599.64024

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NNC(=S)NC5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NNC(=S)NC5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6

InChI

InChI=1S/C28H21N7O5S2/c36-26(21-15-23(32-22-5-2-1-4-20(21)22)17-6-11-24-25(14-17)40-16-39-24)33-34-28(41)31-18-7-9-19(10-8-18)42(37,38)35-27-29-12-3-13-30-27/h1-15H,16H2,(H,33,36)(H,29,30,35)(H2,31,34,41)