methyl 4-[[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-[2-(3-propan-2-yloxyphenyl)-4-quinolinyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H25N3O4S/c1-17(2)35-21-8-6-7-19(15-21)25-16-23(22-9-4-5-10-24(22)30-25)26(32)31-28(36)29-20-13-11-18(12-14-20)27(33)34-3/h4-17H,1-3H3,(H2,29,31,32,36)