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

Systemtic Name: ethyl 4-[2-(3-heptyl-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-heptyl-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-heptyl-1-methyl-5-oxo-2-sulfanylidene-4-imidazolidinyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-heptyl-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-heptyl-5-keto-1-methyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(C(=O)N(C1=S)C)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCN1C(C(=O)N(C1=S)C)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C22H31N3O4S/c1-4-6-7-8-9-14-25-18(20(27)24(3)22(25)30)15-19(26)23-17-12-10-16(11-13-17)21(28)29-5-2/h10-13,18H,4-9,14-15H2,1-3H3,(H,23,26)