N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

InChI

InChI=1S/C31H33N3O5S/c1-4-5-6-7-18-38-23-12-8-21(9-13-23)30(35)34-31(40)33-22-10-14-24(15-11-22)39-27-16-17-32-26-20-29(37-3)28(36-2)19-25(26)27/h8-17,19-20H,4-7,18H2,1-3H3,(H2,33,34,35,40)