4-methyl-2-(octylcarbamoylamino)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-thiophene-3-carboxylic acid Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-thiophenecarboxylic acid IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C27H38N4O4S MolecularWeight: 514.68002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C)C(=O)O

InChI

InChI=1S/C27H38N4O4S/c1-3-4-5-6-7-11-14-28-27(35)29-24-22(26(33)34)20(2)23(36-24)25(32)31-17-15-30(16-18-31)19-21-12-9-8-10-13-21/h8-10,12-13H,3-7,11,14-19H2,1-2H3,(H,33,34)(H2,28,29,35)