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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=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)20-12-14-22(15-13-20)31-30(38)33-28(34)25-17-27(32-26-11-6-5-10-24(25)26)21-8-7-9-23(16-21)37-18-19(2)3/h5-17,19H,4,18H2,1-3H3,(H2,31,33,34,38)