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

Systemtic Name: methyl 4,5-dimethyl-2-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-[4-(p-tolylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[4-(4-methylbenzyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

InChI

InChI=1S/C22H29N3O3S/c1-15-5-7-18(8-6-15)13-24-9-11-25(12-10-24)14-19(26)23-21-20(22(27)28-4)16(2)17(3)29-21/h5-8H,9-14H2,1-4H3,(H,23,26)