N-(3-butylsulfanylpropyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(3-butylsulfanylpropyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-1-ethyl-6-morpholinosulfonyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[3-(butylthio)propyl]-1-ethyl-6-(4-morpholinylsulfonyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide Traditional Name: N-[3-(butylthio)propyl]-1-ethyl-4-keto-6-morpholinosulfonyl-quinoline-3-carboxamide Formula: C23H33N3O5S2 MolecularWeight: 495.65522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCOCC3)CC

Isomeric SMILES

CCCCSCCCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCOCC3)CC

InChI

InChI=1S/C23H33N3O5S2/c1-3-5-14-32-15-6-9-24-23(28)20-17-25(4-2)21-8-7-18(16-19(21)22(20)27)33(29,30)26-10-12-31-13-11-26/h7-8,16-17H,3-6,9-15H2,1-2H3,(H,24,28)