N-[(5-ethyl-2-oxidanyl-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[(5-ethyl-2-oxidanyl-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(5-ethyl-2-hydroxy-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(5-ethyl-2-hydroxyanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(5-ethyl-2-hydroxy-phenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-3-11-7-8-15(21)13(9-11)18-17(25)19-16(22)12-5-4-6-14(10(12)2)20(23)24/h4-9,21H,3H2,1-2H3,(H2,18,19,22,25)