3-chloranyl-N-[3-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanyl-propyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: 3-chloranyl-N-[3-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanyl-propyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide Openeye Name: 3-chloro-N-[2-hydroxy-3-(3-methoxy-4-morpholino-anilino)propyl]-6-thioxo-cyclohexa-1,3-diene-1-carboxamide CAS Name: 3-chloro-N-[2-hydroxy-3-[3-methoxy-4-(4-morpholinyl)anilino]propyl]-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: 3-chloro-N-[2-hydroxy-3-(3-methoxy-4-morpholin-4-ylanilino)propyl]-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide Traditional Name: 3-chloro-N-[2-hydroxy-3-(3-methoxy-4-morpholino-anilino)propyl]-6-thioxo-cyclohexa-1,3-diene-1-carboxamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NCC(CNC(=O)C2=CC(=CCC2=S)Cl)O)N3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)NCC(CNC(=O)C2=CC(=CCC2=S)Cl)O)N3CCOCC3

InChI

InChI=1S/C21H26ClN3O4S/c1-28-19-11-15(3-4-18(19)25-6-8-29-9-7-25)23-12-16(26)13-24-21(27)17-10-14(22)2-5-20(17)30/h2-4,10-11,16,23,26H,5-9,12-13H2,1H3,(H,24,27)