methyl 5-aminocarbonyl-4-methyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H26N4O4S/c1-14-17(21(28)29-2)20(30-18(14)19(22)27)23-16(26)13-25-10-8-24(9-11-25)12-15-6-4-3-5-7-15/h3-7H,8-13H2,1-2H3,(H2,22,27)(H,23,26)