N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[3-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H15N3O5S MolecularWeight: 397.4045

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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-])C3=CC=C(O3)CO

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(O3)CO

InChI

InChI=1S/C19H15N3O5S/c23-11-16-7-8-17(27-16)12-3-1-5-14(9-12)20-19(28)21-18(24)13-4-2-6-15(10-13)22(25)26/h1-10,23H,11H2,(H2,20,21,24,28)