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

Systemtic Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[4-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[4-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: 2-methyl-N-[[4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO

InChI

InChI=1S/C20H17N3O5S/c1-12-16(3-2-4-17(12)23(26)27)19(25)22-20(29)21-14-7-5-13(6-8-14)18-10-9-15(11-24)28-18/h2-10,24H,11H2,1H3,(H2,21,22,25,29)