ethyl 4-[(2-benzamido-5-ethyl-thiophen-3-yl)-(4-methoxyphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-benzamido-5-ethyl-thiophen-3-yl)-(4-methoxyphenyl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-benzamido-5-ethyl-3-thienyl)-(4-methoxyphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-benzamido-5-ethyl-3-thiophenyl)-(4-methoxyphenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzamido-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2-benzamido-5-ethyl-3-thienyl)-(4-methoxyphenyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C28H33N3O4S/c1-4-23-19-24(27(36-23)29-26(32)21-9-7-6-8-10-21)25(20-11-13-22(34-3)14-12-20)30-15-17-31(18-16-30)28(33)35-5-2/h6-14,19,25H,4-5,15-18H2,1-3H3,(H,29,32)