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

Systemtic Name: butyl 4-[[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylcarbamothioylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C31H31N3O4S MolecularWeight: 541.66054

Click to see the large picture

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)OC(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)OC(C)C

InChI

InChI=1S/C31H31N3O4S/c1-4-5-17-37-30(36)21-13-15-23(16-14-21)32-31(39)34-29(35)26-19-28(33-27-12-7-6-11-25(26)27)22-9-8-10-24(18-22)38-20(2)3/h6-16,18-20H,4-5,17H2,1-3H3,(H2,32,34,35,39)