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

Systemtic Name: methyl 4-[2-(3-heptyl-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl)ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-4-5-6-7-8-13-24-17(19(26)23(2)21(24)29)14-18(25)22-16-11-9-15(10-12-16)20(27)28-3/h9-12,17H,4-8,13-14H2,1-3H3,(H,22,25)