ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-phenylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-4-30-22(29)18-15(2)19(20(28)23-3)31-21(18)24-17(27)14-25-10-12-26(13-11-25)16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3,(H,23,28)(H,24,27)