[2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C17H20FN3O4S2 MolecularWeight: 413.486803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)OCC(=O)NCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)OCC(=O)NCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H20FN3O4S2/c18-12-3-5-13(6-4-12)20-14(22)9-19-15(23)10-25-16(24)11-27-17(26)21-7-1-2-8-21/h3-6H,1-2,7-11H2,(H,19,23)(H,20,22)