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

Systemtic Name: ethyl 4-[2-(3-heptyl-5-oxidanylidene-1-phenethyl-2-sulfanylidene-imidazolidin-4-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-heptyl-5-oxo-1-phenethyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-heptyl-5-oxo-1-phenethyl-2-sulfanylidene-4-imidazolidinyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-heptyl-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-heptyl-5-keto-1-phenethyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C29H37N3O4S MolecularWeight: 523.68678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(C(=O)N(C1=S)CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCCCN1C(C(=O)N(C1=S)CCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C29H37N3O4S/c1-3-5-6-7-11-19-31-25(27(34)32(29(31)37)20-18-22-12-9-8-10-13-22)21-26(33)30-24-16-14-23(15-17-24)28(35)36-4-2/h8-10,12-17,25H,3-7,11,18-21H2,1-2H3,(H,30,33)