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

Systemtic Name: 3-butoxy-N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[[1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[[1-(2-furfuryl)-5-keto-pyrrolidine-3-carbonyl]amino]thiocarbamoyl]benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3

InChI

InChI=1S/C22H26N4O5S/c1-2-3-9-30-17-7-4-6-15(11-17)20(28)23-22(32)25-24-21(29)16-12-19(27)26(13-16)14-18-8-5-10-31-18/h4-8,10-11,16H,2-3,9,12-14H2,1H3,(H,24,29)(H2,23,25,28,32)