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

Systemtic Name: ethyl 4-[2-[3-heptyl-5-oxidanylidene-1-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-benzyl-3-heptyl-5-oxo-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[3-heptyl-5-oxo-1-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-benzyl-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1-benzyl-3-heptyl-5-keto-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(C(=O)N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCCCN1C(C(=O)N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C28H35N3O4S/c1-3-5-6-7-11-18-30-24(26(33)31(28(30)36)20-21-12-9-8-10-13-21)19-25(32)29-23-16-14-22(15-17-23)27(34)35-4-2/h8-10,12-17,24H,3-7,11,18-20H2,1-2H3,(H,29,32)