ethyl 4-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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)N3CCCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C25H25N3O4S2/c1-2-32-24(29)19-9-11-20(12-10-19)26-25(33)27-21-13-15-22(16-14-21)34(30,31)28-17-5-7-18-6-3-4-8-23(18)28/h3-4,6,8-16H,2,5,7,17H2,1H3,(H2,26,27,33)