N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[[1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[[1-(2-furfuryl)-5-keto-pyrrolidine-3-carbonyl]amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3

InChI

InChI=1S/C24H30N4O5S/c1-2-3-4-7-12-33-20-11-6-5-10-19(20)23(31)25-24(34)27-26-22(30)17-14-21(29)28(15-17)16-18-9-8-13-32-18/h5-6,8-11,13,17H,2-4,7,12,14-16H2,1H3,(H,26,30)(H2,25,27,31,34)