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

Systemtic Name: ethyl 4-methyl-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-[[2-(4-methylpiperazino)acetyl]amino]-5-(phenylcarbamoyl)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)NC2=CC=CC=C2)NC(=O)CN3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCN(CC3)C

InChI

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