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

Systemtic Name: N-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(5-chloro-2-hydroxy-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(5-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(5-chloro-2-hydroxy-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C18H17ClN4O5S MolecularWeight: 436.86938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C18H17ClN4O5S/c19-11-1-4-16(24)14(9-11)20-18(29)21-17(25)13-10-12(23(26)27)2-3-15(13)22-5-7-28-8-6-22/h1-4,9-10,24H,5-8H2,(H2,20,21,25,29)