[3-[(4-bromophenyl)carbamothioylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[(4-bromophenyl)carbamothioylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[(4-bromophenyl)carbamothioylamino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[(4-bromophenyl)carbamothioylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[(4-bromophenyl)thiocarbamoylamino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C10H15BrN2O7P2S MolecularWeight: 449.151822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NCCC(O)(P(=O)(O)O)P(=O)(O)O)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCCC(O)(P(=O)(O)O)P(=O)(O)O)Br

InChI

InChI=1S/C10H15BrN2O7P2S/c11-7-1-3-8(4-2-7)13-9(23)12-6-5-10(14,21(15,16)17)22(18,19)20/h1-4,14H,5-6H2,(H2,12,13,23)(H2,15,16,17)(H2,18,19,20)