methyl 1-(4-dimethylaminophenyl)carbonyl-4-(thiophen-2-ylmethyl)piperazine-2-carboxylate

Systemtic Name: methyl 1-(4-dimethylaminophenyl)carbonyl-4-(thiophen-2-ylmethyl)piperazine-2-carboxylate Openeye Name: methyl 1-[4-(dimethylamino)benzoyl]-4-(2-thienylmethyl)piperazine-2-carboxylate CAS Name: 1-[(4-dimethylaminophenyl)-oxomethyl]-4-(thiophen-2-ylmethyl)-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(dimethylamino)benzoyl]-4-(thiophen-2-ylmethyl)piperazine-2-carboxylate Traditional Name: 1-[4-(dimethylamino)benzoyl]-4-(2-thenyl)piperazine-2-carboxylic acid methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)OC)CC3=CC=CS3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)OC)CC3=CC=CS3

InChI

InChI=1S/C20H25N3O3S/c1-21(2)16-8-6-15(7-9-16)19(24)23-11-10-22(13-17-5-4-12-27-17)14-18(23)20(25)26-3/h4-9,12,18H,10-11,13-14H2,1-3H3