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

Systemtic Name: ethyl 2-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSCC(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSCC(=O)OCC

InChI

InChI=1S/C18H27N3O3S/c1-3-20-9-11-21(12-10-20)16-7-5-15(6-8-16)19-17(22)13-25-14-18(23)24-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,19,22)/p+1