2-[[3-(diethylaminomethyl)phenyl]carbonylamino]-4-methyl-5-(piperidin-1-ylmethyl)thiophene-3-carboxylic acid

Systemtic Name: 2-[[3-(diethylaminomethyl)phenyl]carbonylamino]-4-methyl-5-(piperidin-1-ylmethyl)thiophene-3-carboxylic acid Openeye Name: 2-[[3-(diethylaminomethyl)benzoyl]amino]-4-methyl-5-(1-piperidylmethyl)thiophene-3-carboxylic acid CAS Name: 2-[[[3-(diethylaminomethyl)phenyl]-oxomethyl]amino]-4-methyl-5-(1-piperidinylmethyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[[3-(diethylaminomethyl)benzoyl]amino]-4-methyl-5-(piperidin-1-ylmethyl)thiophene-3-carboxylic acid Traditional Name: 2-[[3-(diethylaminomethyl)benzoyl]amino]-4-methyl-5-(piperidinomethyl)-3-thenoic acid Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)CN3CCCCC3)C)C(=O)O

Isomeric SMILES

CCN(CC)CC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)CN3CCCCC3)C)C(=O)O

InChI

InChI=1S/C24H33N3O3S/c1-4-26(5-2)15-18-10-9-11-19(14-18)22(28)25-23-21(24(29)30)17(3)20(31-23)16-27-12-7-6-8-13-27/h9-11,14H,4-8,12-13,15-16H2,1-3H3,(H,25,28)(H,29,30)