3-[[2-oxidanylidene-2-[(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-phenyl-amino]ethyl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[2-oxidanylidene-2-[(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-phenyl-amino]ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-oxo-2-(N-(2-oxo-2-thiomorpholino-ethyl)anilino)ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[oxo-[[2-oxo-2-(N-(2-oxo-2-thiomorpholin-4-ylethyl)anilino)ethyl]amino]methyl]amino]benzoic acid IUPAC Name: 3-[[2-oxo-2-(N-(2-oxo-2-thiomorpholin-4-ylethyl)anilino)ethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-keto-2-(N-(2-keto-2-thiomorpholino-ethyl)anilino)ethyl]carbamoylamino]benzoic acid Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)CN(C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CSCCN1C(=O)CN(C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H24N4O5S/c27-19(14-23-22(31)24-17-6-4-5-16(13-17)21(29)30)26(18-7-2-1-3-8-18)15-20(28)25-9-11-32-12-10-25/h1-8,13H,9-12,14-15H2,(H,29,30)(H2,23,24,31)