[2-[[4-ethyl-2,5-bis(oxidanylidene)-4-phenyl-imidazolidin-1-yl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[[4-ethyl-2,5-bis(oxidanylidene)-4-phenyl-imidazolidin-1-yl]amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[(4-ethyl-2,5-dioxo-4-phenyl-imidazolidin-1-yl)amino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[(4-ethyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[(4-ethyl-2,5-diketo-4-phenyl-imidazolidin-1-yl)amino]-2-keto-ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N(C(=O)N1)NC(=O)COC(=O)C2=CC=C(C=C2)SC)C3=CC=CC=C3

Isomeric SMILES

CCC1(C(=O)N(C(=O)N1)NC(=O)COC(=O)C2=CC=C(C=C2)SC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5S/c1-3-21(15-7-5-4-6-8-15)19(27)24(20(28)22-21)23-17(25)13-29-18(26)14-9-11-16(30-2)12-10-14/h4-12H,3,13H2,1-2H3,(H,22,28)(H,23,25)