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

Systemtic Name: methyl 4-phenyl-2-[2-(4-propylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-phenyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-propyl-1-piperazinyl)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[[2-(4-propylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-(4-propylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-3-9-23-10-12-24(13-11-23)14-18(25)22-20-19(21(26)27-2)17(15-28-20)16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,22,25)