methyl 2-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(4-methylpiperazino)propanoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)CCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H25N3O3S/c1-22-10-12-23(13-11-22)9-8-17(24)21-19-18(20(25)26-2)16(14-27-19)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,21,24)