methyl 4-(4-methylphenyl)-2-[2-(4-propylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-[2-(4-propylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-(4-propyl-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-propylpiperazino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OC

Isomeric SMILES

CCCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OC

InChI

InChI=1S/C22H29N3O3S/c1-4-9-24-10-12-25(13-11-24)14-19(26)23-21-20(22(27)28-3)18(15-29-21)17-7-5-16(2)6-8-17/h5-8,15H,4,9-14H2,1-3H3,(H,23,26)