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

Systemtic Name: ethyl 4-[2-[5-oxidanylidene-1-phenethyl-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-benzyl-5-oxo-1-phenethyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-oxo-1-phenethyl-3-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-benzyl-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-benzyl-5-keto-1-phenethyl-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4S/c1-2-36-28(35)23-13-15-24(16-14-23)30-26(33)19-25-27(34)31(18-17-21-9-5-3-6-10-21)29(37)32(25)20-22-11-7-4-8-12-22/h3-16,25H,2,17-20H2,1H3,(H,30,33)