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

Systemtic Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[3-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[3-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[3-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=CC=C(O4)CO)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=CC=C(O4)CO)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O6S/c28-14-18-5-7-21(33-18)15-2-1-3-17(12-15)24-23(34)25-22(29)16-4-6-19(20(13-16)27(30)31)26-8-10-32-11-9-26/h1-7,12-13,28H,8-11,14H2,(H2,24,25,29,34)