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

Systemtic Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[4-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[4-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO)[N+](=O)[O-]

Isomeric SMILES

COC1=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/C20H17N3O6S/c1-28-18-8-4-13(10-16(18)23(26)27)19(25)22-20(30)21-14-5-2-12(3-6-14)17-9-7-15(11-24)29-17/h2-10,24H,11H2,1H3,(H2,21,22,25,30)