4-methyl-2-(octylcarbamoylamino)-5-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-(octylcarbamoylamino)-5-[4-(1-piperidyl)piperidine-1-carbonyl]thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-[4-(1-piperidinyl)-1-piperidinyl]methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-piperidin-1-ylpiperidine-1-carbonyl)thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-piperidinopiperidine-1-carbonyl)-3-thenoic acid Formula: C26H42N4O4S MolecularWeight: 506.70108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N2CCC(CC2)N3CCCCC3)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N2CCC(CC2)N3CCCCC3)C)C(=O)O

InChI

InChI=1S/C26H42N4O4S/c1-3-4-5-6-7-9-14-27-26(34)28-23-21(25(32)33)19(2)22(35-23)24(31)30-17-12-20(13-18-30)29-15-10-8-11-16-29/h20H,3-18H2,1-2H3,(H,32,33)(H2,27,28,34)