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

Systemtic Name: 3-bromanyl-N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[[[1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[[[1-(2-furfuryl)-5-keto-pyrrolidine-3-carbonyl]amino]thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C21H23BrN4O6S MolecularWeight: 539.39952

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3)Br

InChI

InChI=1S/C21H23BrN4O6S/c1-30-7-8-32-17-5-4-13(9-16(17)22)19(28)23-21(33)25-24-20(29)14-10-18(27)26(11-14)12-15-3-2-6-31-15/h2-6,9,14H,7-8,10-12H2,1H3,(H,24,29)(H2,23,25,28,33)