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

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]carbonyl-thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-(octylcarbamoylamino)-5-[4-[2-(1-piperidyl)ethyl]piperazine-1-carbonyl]thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-[4-[2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octylcarbamoylamino)-5-[4-(2-piperidin-1-ylethyl)piperazine-1-carbonyl]thiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(octylcarbamoylamino)-5-[4-(2-piperidinoethyl)piperazine-1-carbonyl]-3-thenoic acid Formula: C27H45N5O4S MolecularWeight: 535.7423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N2CCN(CC2)CCN3CCCCC3)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)N2CCN(CC2)CCN3CCCCC3)C)C(=O)O

InChI

InChI=1S/C27H45N5O4S/c1-3-4-5-6-7-9-12-28-27(36)29-24-22(26(34)35)21(2)23(37-24)25(33)32-19-17-31(18-20-32)16-15-30-13-10-8-11-14-30/h3-20H2,1-2H3,(H,34,35)(H2,28,29,36)