[4-[[4-[[4-[(4-phosphonophenyl)carbamoyl]phenyl]carbamothioylamino]phenyl]carbonylamino]phenyl]phosphonic acid

Systemtic Name: [4-[[4-[[4-[(4-phosphonophenyl)carbamoyl]phenyl]carbamothioylamino]phenyl]carbonylamino]phenyl]phosphonic acid Openeye Name: [4-[[4-[[4-[(4-phosphonophenyl)carbamoyl]phenyl]carbamothioylamino]benzoyl]amino]phenyl]phosphonic acid CAS Name: [4-[[oxo-[4-[[[4-[oxo-(4-phosphonoanilino)methyl]anilino]-sulfanylidenemethyl]amino]phenyl]methyl]amino]phenyl]phosphonic acid IUPAC Name: [4-[[4-[[4-[(4-phosphonophenyl)carbamoyl]phenyl]carbamothioylamino]benzoyl]amino]phenyl]phosphonic acid Traditional Name: [4-[[4-[[4-[(4-phosphonophenyl)carbamoyl]phenyl]thiocarbamoylamino]benzoyl]amino]phenyl]phosphonic acid Formula: C27H24N4O8P2S MolecularWeight: 626.513982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)P(=O)(O)O)NC(=S)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)P(=O)(O)O)NC(=S)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)P(=O)(O)O

InChI

InChI=1S/C27H24N4O8P2S/c32-25(28-19-9-13-23(14-10-19)40(34,35)36)17-1-5-21(6-2-17)30-27(42)31-22-7-3-18(4-8-22)26(33)29-20-11-15-24(16-12-20)41(37,38)39/h1-16H,(H,28,32)(H,29,33)(H2,30,31,42)(H2,34,35,36)(H2,37,38,39)