N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-methylolphenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c19-9-10-3-1-5-12(7-10)16-15(23)17-14(20)11-4-2-6-13(8-11)18(21)22/h1-8,19H,9H2,(H2,16,17,20,23)