N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-N-[3-(dimethylamino)propyl]ethanediamide

Systemtic Name: N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-N-[3-(dimethylamino)propyl]ethanediamide Openeye Name: N'-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-N-[3-(dimethylamino)propyl]oxamide CAS Name: N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-N-[3-(dimethylamino)propyl]oxamide IUPAC Name: N'-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-N-[3-(dimethylamino)propyl]oxamide Traditional Name: N'-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-N-[3-(dimethylamino)propyl]oxamide Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C(=O)NCC(C1=CC=C(C=C1)N(C)C)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CN(C)CCCNC(=O)C(=O)NCC(C1=CC=C(C=C1)N(C)C)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C21H30N4O4S2/c1-24(2)13-6-12-22-20(26)21(27)23-15-18(31(28,29)19-7-5-14-30-19)16-8-10-17(11-9-16)25(3)4/h5,7-11,14,18H,6,12-13,15H2,1-4H3,(H,22,26)(H,23,27)