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

Systemtic Name: N-[(5-ethyl-2-oxidanyl-phenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(5-ethyl-2-hydroxy-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(5-ethyl-2-hydroxyanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(5-ethyl-2-hydroxy-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-2-13-3-6-18(25)15(11-13)21-20(30)22-19(26)14-4-5-16(17(12-14)24(27)28)23-7-9-29-10-8-23/h3-6,11-12,25H,2,7-10H2,1H3,(H2,21,22,26,30)