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

Systemtic Name: ethyl 4-[[4,5-dimethyl-2-(thiophen-2-ylcarbonylamino)thiophen-3-yl]-phenyl-methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4,5-dimethyl-2-(thiophene-2-carbonylamino)-3-thienyl]-phenyl-methyl]piperazine-1-carboxylate CAS Name: 4-[[4,5-dimethyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenyl]-phenylmethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophen-3-yl]-phenylmethyl]piperazine-1-carboxylate Traditional Name: 4-[[4,5-dimethyl-2-(2-thenoylamino)-3-thienyl]-phenyl-methyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S2/c1-4-31-25(30)28-14-12-27(13-15-28)22(19-9-6-5-7-10-19)21-17(2)18(3)33-24(21)26-23(29)20-11-8-16-32-20/h5-11,16,22H,4,12-15H2,1-3H3,(H,26,29)