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

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-phenylpiperazin-1-yl)carbonyl-thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-phenylpiperazine-1-carbonyl)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-phenylpiperazine-1-carbonyl)thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(octylcarbamoylamino)-5-(4-phenylpiperazine-1-carbonyl)-3-thenoic acid Formula: C26H36N4O4S MolecularWeight: 500.65344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O4S/c1-3-4-5-6-7-11-14-27-26(34)28-23-21(25(32)33)19(2)22(35-23)24(31)30-17-15-29(16-18-30)20-12-9-8-10-13-20/h8-10,12-13H,3-7,11,14-18H2,1-2H3,(H,32,33)(H2,27,28,34)