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

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[[2-[4-(o-tolylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[4-(2-methylbenzyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C(=O)N)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C(=O)N)C)C(=O)OC

InChI

InChI=1S/C22H28N4O4S/c1-14-6-4-5-7-16(14)12-25-8-10-26(11-9-25)13-17(27)24-21-18(22(29)30-3)15(2)19(31-21)20(23)28/h4-7H,8-13H2,1-3H3,(H2,23,28)(H,24,27)