ethyl 4-[[4,5-dimethyl-2-(thiophen-2-ylcarbonylamino)thiophen-3-yl]-(4-methylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4,5-dimethyl-2-(thiophen-2-ylcarbonylamino)thiophen-3-yl]-(4-methylphenyl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4,5-dimethyl-2-(thiophene-2-carbonylamino)-3-thienyl]-(p-tolyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[4,5-dimethyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenyl]-(4-methylphenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophen-3-yl]-(4-methylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[[4,5-dimethyl-2-(2-thenoylamino)-3-thienyl]-(p-tolyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)C)C3=C(SC(=C3C)C)NC(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)C)C3=C(SC(=C3C)C)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H31N3O3S2/c1-5-32-26(31)29-14-12-28(13-15-29)23(20-10-8-17(2)9-11-20)22-18(3)19(4)34-25(22)27-24(30)21-7-6-16-33-21/h6-11,16,23H,5,12-15H2,1-4H3,(H,27,30)