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

Systemtic Name: 5-bromanyl-N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[[1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[[1-(2-furfuryl)-5-keto-pyrrolidine-3-carbonyl]amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C24H29BrN4O5S MolecularWeight: 565.47986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2CC(=O)N(C2)CC3=CC=CO3

InChI

InChI=1S/C24H29BrN4O5S/c1-2-3-4-5-10-34-20-9-8-17(25)13-19(20)23(32)26-24(35)28-27-22(31)16-12-21(30)29(14-16)15-18-7-6-11-33-18/h6-9,11,13,16H,2-5,10,12,14-15H2,1H3,(H,27,31)(H2,26,28,32,35)