3-bromanyl-4-ethoxy-N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[[1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[[1-(2-furfuryl)-5-keto-pyrrolidine-3-carbonyl]amino]thiocarbamoyl]benzamide Formula: C20H21BrN4O5S MolecularWeight: 509.37354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3)Br

InChI

InChI=1S/C20H21BrN4O5S/c1-2-29-16-6-5-12(8-15(16)21)18(27)22-20(31)24-23-19(28)13-9-17(26)25(10-13)11-14-4-3-7-30-14/h3-8,13H,2,9-11H2,1H3,(H,23,28)(H2,22,24,27,31)