2-(furan-2-yl)-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(furan-2-yl)-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(2-furyl)-N-[(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(2-furanyl)-N-[[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(furan-2-yl)-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(2-furyl)-N-[(5-morpholinosulfonyl-2-pyrrolidino-phenyl)thiocarbamoyl]cinchoninamide Formula: C29H29N5O5S2 MolecularWeight: 591.70106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CO6

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CO6

InChI

InChI=1S/C29H29N5O5S2/c35-28(22-19-25(27-8-5-15-39-27)30-23-7-2-1-6-21(22)23)32-29(40)31-24-18-20(9-10-26(24)33-11-3-4-12-33)41(36,37)34-13-16-38-17-14-34/h1-2,5-10,15,18-19H,3-4,11-14,16-17H2,(H2,31,32,35,40)