4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[4-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[4-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-2-29-19-9-5-14(11-17(19)24(27)28)20(26)23-21(31)22-15-6-3-13(4-7-15)18-10-8-16(12-25)30-18/h3-11,25H,2,12H2,1H3,(H2,22,23,26,31)