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

Systemtic Name: 1-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-3-(3-methoxypropyl)thiourea Openeye Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-(3-methoxypropyl)thiourea CAS Name: 1-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-(3-methoxypropyl)thiourea Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O4S/c1-28-10-4-9-23-22(31)26-25-21(27)16-12-18(24-17-6-3-2-5-15(16)17)14-7-8-19-20(11-14)30-13-29-19/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,25,27)(H2,23,26,31)