methyl 4-(2,5-dimethylphenyl)-2-[2-(4-propylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,5-dimethylphenyl)-2-[2-(4-propylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-2-[[1-oxo-2-(4-propyl-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-[[2-(4-propylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-5-8-25-9-11-26(12-10-25)14-20(27)24-22-21(23(28)29-4)19(15-30-22)18-13-16(2)6-7-17(18)3/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,24,27)