[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpropanoate

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpropanoate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] 2-phenylsulfanylpropanoate CAS Name: 2-(phenylthio)propanoic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-phenylsulfanylpropanoate Traditional Name: 2-(phenylthio)propionic acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C(C)SC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-3-25-13-15-26(16-14-25)20-11-9-19(10-12-20)24-22(27)17-29-23(28)18(2)30-21-7-5-4-6-8-21/h4-12,18H,3,13-17H2,1-2H3,(H,24,27)