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

Systemtic Name: butyl 4-[[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]carbonylcarbamothioylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 4-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(3-isobutoxyphenyl)quinoline-4-carbonyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C32H33N3O4S MolecularWeight: 555.68712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=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

CCCCOC(=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/C32H33N3O4S/c1-4-5-17-38-31(37)22-13-15-24(16-14-22)33-32(40)35-30(36)27-19-29(34-28-12-7-6-11-26(27)28)23-9-8-10-25(18-23)39-20-21(2)3/h6-16,18-19,21H,4-5,17,20H2,1-3H3,(H2,33,35,36,40)