N-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(3,5-dichloro-2-hydroxy-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(3,5-dichloro-2-hydroxyanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(3,5-dichloro-2-hydroxy-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C18H16Cl2N4O5S MolecularWeight: 471.31444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC(=CC(=C3O)Cl)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC(=CC(=C3O)Cl)Cl

InChI

InChI=1S/C18H16Cl2N4O5S/c19-10-7-13(20)16(25)14(8-10)21-18(30)22-17(26)12-9-11(24(27)28)1-2-15(12)23-3-5-29-6-4-23/h1-2,7-9,25H,3-6H2,(H2,21,22,26,30)