N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[3-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[3-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[3-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=CC=C(O4)CO)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=CC=C(O4)CO)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O5S/c29-15-19-8-10-22(33-19)16-5-4-6-18(13-16)25-24(34)26-23(30)17-7-9-20(21(14-17)28(31)32)27-11-2-1-3-12-27/h4-10,13-14,29H,1-3,11-12,15H2,(H2,25,26,30,34)