4-[2-chloranyl-4-(2-phenylethanoylcarbamothioylamino)phenoxy]-7-methoxy-N-methyl-quinoline-6-carboxamide

Systemtic Name: 4-[2-chloranyl-4-(2-phenylethanoylcarbamothioylamino)phenoxy]-7-methoxy-N-methyl-quinoline-6-carboxamide Openeye Name: 4-[2-chloro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methyl-quinoline-6-carboxamide CAS Name: 4-[2-chloro-4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]phenoxy]-7-methoxy-N-methyl-6-quinolinecarboxamide IUPAC Name: 4-[2-chloro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide Traditional Name: 4-[2-chloro-4-[(2-phenylacetyl)thiocarbamoylamino]phenoxy]-7-methoxy-N-methyl-quinoline-6-carboxamide Formula: C27H23ClN4O4S MolecularWeight: 535.01392

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H23ClN4O4S/c1-29-26(34)19-14-18-21(15-24(19)35-2)30-11-10-22(18)36-23-9-8-17(13-20(23)28)31-27(37)32-25(33)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,29,34)(H2,31,32,33,37)