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

Systemtic Name: methyl 4-(4-chlorophenyl)-2-[2-(4-propylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[1-oxo-2-(4-propyl-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-(4-propylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-3-8-24-9-11-25(12-10-24)13-18(26)23-20-19(21(27)28-2)17(14-29-20)15-4-6-16(22)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,23,26)