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

Systemtic Name: 1-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-3-ethyl-thiourea Openeye Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethyl-thiourea CAS Name: 1-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-3-ethylthiourea IUPAC Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethylthiourea Traditional Name: 1-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-3-ethyl-thiourea Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3S/c1-2-21-20(28)24-23-19(25)14-10-16(22-15-6-4-3-5-13(14)15)12-7-8-17-18(9-12)27-11-26-17/h3-10H,2,11H2,1H3,(H,23,25)(H2,21,24,28)