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

Systemtic Name: methyl 5-methyl-2-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-[4-(p-tolylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[4-(4-methylbenzyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-15-4-6-17(7-5-15)13-23-8-10-24(11-9-23)14-19(25)22-20-18(21(26)27-3)12-16(2)28-20/h4-7,12H,8-11,13-14H2,1-3H3,(H,22,25)