5-[3-(dimethylamino)propylcarbamoyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-[3-(dimethylamino)propylcarbamoyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-[3-(dimethylamino)propylcarbamoyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-[[3-(dimethylamino)propylamino]-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-[3-(dimethylamino)propylcarbamoyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-[3-(dimethylamino)propylcarbamoyl]-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C21H36N4O4S MolecularWeight: 440.59994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCN(C)C)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCN(C)C)C)C(=O)O

InChI

InChI=1S/C21H36N4O4S/c1-5-6-7-8-9-10-12-23-21(29)24-19-16(20(27)28)15(2)17(30-19)18(26)22-13-11-14-25(3)4/h5-14H2,1-4H3,(H,22,26)(H,27,28)(H2,23,24,29)