ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[[2-(3-isobutoxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate CAS Name: 3-[[[[[2-[3-(2-methylpropoxy)phenyl]-4-quinolinyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate Traditional Name: 3-[[2-(3-isobutoxyphenyl)quinoline-4-carbonyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C30H29N3O4S MolecularWeight: 527.63396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C

InChI

InChI=1S/C30H29N3O4S/c1-4-36-29(35)21-10-7-11-22(15-21)31-30(38)33-28(34)25-17-27(32-26-14-6-5-13-24(25)26)20-9-8-12-23(16-20)37-18-19(2)3/h5-17,19H,4,18H2,1-3H3,(H2,31,33,34,38)