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

Systemtic Name: ethyl 4-[2-[5-oxidanylidene-1-(phenylmethyl)-3-(pyridin-2-ylcarbonylamino)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-benzyl-5-oxo-3-(pyridine-2-carbonylamino)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-oxo-3-[[oxo(2-pyridinyl)methyl]amino]-1-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-benzyl-5-oxo-3-(pyridine-2-carbonylamino)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(1-benzyl-5-keto-3-picolinamido-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C27H25N5O5S MolecularWeight: 531.5829

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)N2NC(=O)C3=CC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N5O5S/c1-2-37-26(36)19-11-13-20(14-12-19)29-23(33)16-22-25(35)31(17-18-8-4-3-5-9-18)27(38)32(22)30-24(34)21-10-6-7-15-28-21/h3-15,22H,2,16-17H2,1H3,(H,29,33)(H,30,34)