6-(azepan-1-ylsulfonyl)-N-(3-butylsulfanylpropyl)-1-methyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-(3-butylsulfanylpropyl)-1-methyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-(3-butylsulfanylpropyl)-1-methyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[3-(butylthio)propyl]-1-methyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-(3-butylsulfanylpropyl)-1-methyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[3-(butylthio)propyl]-4-keto-1-methyl-quinoline-3-carboxamide Formula: C24H35N3O4S2 MolecularWeight: 493.6824

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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)N3CCCCCC3)C

Isomeric SMILES

CCCCSCCCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C24H35N3O4S2/c1-3-4-15-32-16-9-12-25-24(29)21-18-26(2)22-11-10-19(17-20(22)23(21)28)33(30,31)27-13-7-5-6-8-14-27/h10-11,17-18H,3-9,12-16H2,1-2H3,(H,25,29)