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

Systemtic Name: 1-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-(4-nitrophenyl)thiourea Formula: C24H17N5O5S MolecularWeight: 487.48728

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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)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NNC(=S)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H17N5O5S/c30-23(27-28-24(35)25-15-6-8-16(9-7-15)29(31)32)18-12-20(26-19-4-2-1-3-17(18)19)14-5-10-21-22(11-14)34-13-33-21/h1-12H,13H2,(H,27,30)(H2,25,28,35)