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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-4-propyl-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-carbamothioyl]-4-propyl-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-propylbenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenylcarbamothioyl]-4-propylbenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-thiocarbamoyl]-4-propyl-benzamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC(=S)N(C2=CC=CC=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

CCCC1=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/C28H27N3O4S/c1-4-8-19-11-13-20(14-12-19)27(32)30-28(36)31(21-9-6-5-7-10-21)35-24-15-16-29-23-18-26(34-3)25(33-2)17-22(23)24/h5-7,9-18H,4,8H2,1-3H3,(H,30,32,36)