3-(2-chlorophenyl)-5-methyl-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-[(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-[(5-morpholinosulfonyl-2-pyrrolidino-phenyl)thiocarbamoyl]isoxazole-4-carboxamide Formula: C26H28ClN5O5S2 MolecularWeight: 590.11402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5

InChI

InChI=1S/C26H28ClN5O5S2/c1-17-23(24(30-37-17)19-6-2-3-7-20(19)27)25(33)29-26(38)28-21-16-18(8-9-22(21)31-10-4-5-11-31)39(34,35)32-12-14-36-15-13-32/h2-3,6-9,16H,4-5,10-15H2,1H3,(H2,28,29,33,38)