5-(3-imidazol-1-ylpropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-(3-imidazol-1-ylpropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Openeye Name: 5-(3-imidazol-1-ylpropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 5-[[3-(1-imidazolyl)propylamino]-oxomethyl]-4-methyl-2-[[(octylamino)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(3-imidazol-1-ylpropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-(3-imidazol-1-ylpropylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C22H33N5O4S MolecularWeight: 463.59352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCN2C=CN=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCCCN2C=CN=C2)C)C(=O)O

InChI

InChI=1S/C22H33N5O4S/c1-3-4-5-6-7-8-10-25-22(31)26-20-17(21(29)30)16(2)18(32-20)19(28)24-11-9-13-27-14-12-23-15-27/h12,14-15H,3-11,13H2,1-2H3,(H,24,28)(H,29,30)(H2,25,26,31)