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

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C31H32ClN3O5S MolecularWeight: 594.12088

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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)Cl

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)Cl

InChI

InChI=1S/C31H32ClN3O5S/c1-4-5-6-7-16-39-22-11-8-20(9-12-22)30(36)35-31(41)34-21-10-13-27(24(32)17-21)40-26-14-15-33-25-19-29(38-3)28(37-2)18-23(25)26/h8-15,17-19H,4-7,16H2,1-3H3,(H2,34,35,36,41)