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

Systemtic Name: N-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(5-chloro-2-hydroxy-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(5-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(5-chloro-2-hydroxy-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C18H17ClN4O5S MolecularWeight: 436.86938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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