N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxy-cyclohexane-1-carboxamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxy-cyclohexane-1-carboxamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-3-methoxy-cyclohexanecarboxamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-3-methoxy-1-cyclohexanecarboxamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methoxycyclohexane-1-carboxamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-3-methoxy-cyclohexanecarboxamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCC(C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

COC1CCCC(C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

InChI

InChI=1S/C26H29N3O5S/c1-31-19-6-4-5-16(13-19)25(30)29-26(35)28-17-7-9-18(10-8-17)34-22-11-12-27-21-15-24(33-3)23(32-2)14-20(21)22/h7-12,14-16,19H,4-6,13H2,1-3H3,(H2,28,29,30,35)