ethyl N-[[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonylcarbamothioylamino]carbamate

Systemtic Name: ethyl N-[[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonylcarbamothioylamino]carbamate Openeye Name: ethyl N-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]carbamothioylamino]carbamate CAS Name: N-[[[[[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]carbamothioylamino]carbamate Traditional Name: N-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]thiocarbamoylamino]carbamic acid ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC(=S)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)NNC(=S)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H22N4O5S/c1-4-31-22(28)26-25-21(32)24-20(27)15-12-17(23-16-8-6-5-7-14(15)16)13-9-10-18(29-2)19(11-13)30-3/h5-12H,4H2,1-3H3,(H,26,28)(H2,24,25,27,32)