N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-4-octyl-benzamide

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-4-octyl-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-carbamothioyl]-4-octyl-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-octylbenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenylcarbamothioyl]-4-octylbenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-thiocarbamoyl]-4-octyl-benzamide Formula: C33H37N3O4S MolecularWeight: 571.72958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)NC(=S)N(C2=CC=CC=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)NC(=S)N(C2=CC=CC=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

InChI

InChI=1S/C33H37N3O4S/c1-4-5-6-7-8-10-13-24-16-18-25(19-17-24)32(37)35-33(41)36(26-14-11-9-12-15-26)40-29-20-21-34-28-23-31(39-3)30(38-2)22-27(28)29/h9,11-12,14-23H,4-8,10,13H2,1-3H3,(H,35,37,41)