4-methyl-2-(octylcarbamoylamino)-5-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonyl-thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonyl-thiophene-3-carboxylic acid Openeye Name: 5-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazine-1-carbonyl]-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octylcarbamoylamino)-5-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]thiophene-3-carboxylic acid Traditional Name: 5-[4-[2-(isopropylamino)-2-keto-ethyl]piperazine-1-carbonyl]-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C25H41N5O5S MolecularWeight: 523.68854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N5O5S/c1-5-6-7-8-9-10-11-26-25(35)28-22-20(24(33)34)18(4)21(36-22)23(32)30-14-12-29(13-15-30)16-19(31)27-17(2)3/h17H,5-16H2,1-4H3,(H,27,31)(H,33,34)(H2,26,28,35)