ethyl 4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-3-heptyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-3-heptyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]-3-heptyl-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-heptyl-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[4-[2-(4-fluoroanilino)-2-keto-ethyl]-3-heptyl-5-keto-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C27H32FN3O4S MolecularWeight: 513.624083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(C(=O)N(C1=S)C2=CC=C(C=C2)C(=O)OCC)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCN1C(C(=O)N(C1=S)C2=CC=C(C=C2)C(=O)OCC)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C27H32FN3O4S/c1-3-5-6-7-8-17-30-23(18-24(32)29-21-13-11-20(28)12-14-21)25(33)31(27(30)36)22-15-9-19(10-16-22)26(34)35-4-2/h9-16,23H,3-8,17-18H2,1-2H3,(H,29,32)