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

Systemtic Name: methyl 2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(o-tolylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-methylbenzyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=C(C=CS3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C20H25N3O3S/c1-15-5-3-4-6-16(15)13-22-8-10-23(11-9-22)14-18(24)21-19-17(7-12-27-19)20(25)26-2/h3-7,12H,8-11,13-14H2,1-2H3,(H,21,24)