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

Systemtic Name: 3-bromanyl-N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[[1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[[1-(2-furfuryl)-5-keto-pyrrolidine-3-carbonyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H29BrN4O5S MolecularWeight: 565.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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