[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 2-thiophen-2-ylethanoate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 2-thiophen-2-ylethanoate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] 2-(2-thienyl)acetate CAS Name: 2-thiophen-2-ylacetic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate Traditional Name: 2-(2-thienyl)acetic acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)CC4=CC=CS4

InChI

InChI=1S/C25H27N3O3S/c29-24(19-31-25(30)17-23-7-4-16-32-23)26-21-8-10-22(11-9-21)28-14-12-27(13-15-28)18-20-5-2-1-3-6-20/h1-11,16H,12-15,17-19H2,(H,26,29)