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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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