ethyl 4-[[4-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C26H26FN3O4S2 MolecularWeight: 527.630743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCC4=C3C=CC(=C4)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCC4=C3C=CC(=C4)F)C

InChI

InChI=1S/C26H26FN3O4S2/c1-3-34-25(31)18-6-9-21(10-7-18)28-26(35)29-22-11-13-23(14-12-22)36(32,33)30-17(2)4-5-19-16-20(27)8-15-24(19)30/h6-17H,3-5H2,1-2H3,(H2,28,29,35)