N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]benzamide Formula: C30H30ClN3O5S MolecularWeight: 580.0943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl

InChI

InChI=1S/C30H30ClN3O5S/c1-4-5-6-15-38-21-10-7-19(8-11-21)29(35)34-30(40)33-20-9-12-26(23(31)16-20)39-25-13-14-32-24-18-28(37-3)27(36-2)17-22(24)25/h7-14,16-18H,4-6,15H2,1-3H3,(H2,33,34,35,40)