ethyl 5-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-phenyl-3-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-phenyl-3-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-3-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[[2-(4-phenylpiperazino)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-2-31-25(30)24-21(17-22(32-24)19-9-5-3-6-10-19)26-23(29)18-27-13-15-28(16-14-27)20-11-7-4-8-12-20/h3-12,17H,2,13-16,18H2,1H3,(H,26,29)