3-[[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[[[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[[[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCC(=O)C2=C(SC(=C2)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCC(=O)C2=C(SC(=C2)C)C

InChI

InChI=1S/C21H27N3O5S2/c1-5-24(6-2)31(28,29)17-9-7-8-16(13-17)21(27)23-22-20(26)11-10-19(25)18-12-14(3)30-15(18)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,22,26)(H,23,27)