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

Systemtic Name: methyl 4-[2-(3-heptyl-5-oxidanylidene-1-phenethyl-2-sulfanylidene-imidazolidin-4-yl)ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H35N3O4S MolecularWeight: 509.6602

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O4S/c1-3-4-5-6-10-18-30-24(20-25(32)29-23-15-13-22(14-16-23)27(34)35-2)26(33)31(28(30)36)19-17-21-11-8-7-9-12-21/h7-9,11-16,24H,3-6,10,17-20H2,1-2H3,(H,29,32)