ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(4-methylpiperazin-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-methyl-2-[3-(4-methylpiperazino)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)CCN3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)CCN3CCN(CC3)C

InChI

InChI=1S/C22H28ClN3O3S/c1-4-29-22(28)20-19(16-5-7-17(23)8-6-16)15(2)30-21(20)24-18(27)9-10-26-13-11-25(3)12-14-26/h5-8H,4,9-14H2,1-3H3,(H,24,27)