methyl 4-[2-(1-methyl-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-methyl-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-methyl-5-oxo-3-phenethyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(1-methyl-5-oxo-3-phenethyl-2-sulfanylidene-4-imidazolidinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-methyl-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-keto-1-methyl-3-phenethyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(N(C1=S)CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C(N(C1=S)CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O4S/c1-24-20(27)18(25(22(24)30)13-12-15-6-4-3-5-7-15)14-19(26)23-17-10-8-16(9-11-17)21(28)29-2/h3-11,18H,12-14H2,1-2H3,(H,23,26)