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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-(3-butylsulfanylpropyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-(3-butylsulfanylpropyl)-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[3-(butylthio)propyl]-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-(3-butylsulfanylpropyl)-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[3-(butylthio)propyl]-1-ethyl-4-keto-quinoline-3-carboxamide Formula: C25H37N3O4S2 MolecularWeight: 507.70898

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O4S2/c1-3-5-16-33-17-10-13-26-25(30)22-19-27(4-2)23-12-11-20(18-21(23)24(22)29)34(31,32)28-14-8-6-7-9-15-28/h11-12,18-19H,3-10,13-17H2,1-2H3,(H,26,30)