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

Systemtic Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[3-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[3-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[3-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C23H22N4O5S/c28-14-18-7-9-21(32-18)15-4-3-5-17(12-15)24-23(33)25-22(29)16-6-8-19(20(13-16)27(30)31)26-10-1-2-11-26/h3-9,12-13,28H,1-2,10-11,14H2,(H2,24,25,29,33)