[1-(aminocarbonylamino)-4-phenylsulfanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [1-(aminocarbonylamino)-4-phenylsulfanyl-1-phosphono-butyl]phosphonic acid Openeye Name: (4-phenylsulfanyl-1-phosphono-1-ureido-butyl)phosphonic acid CAS Name: [1-(carbamoylamino)-4-(phenylthio)-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-(carbamoylamino)-4-phenylsulfanyl-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(phenylthio)-1-phosphono-1-ureido-butyl]phosphonic acid Formula: C11H18N2O7P2S MolecularWeight: 384.282342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(NC(=O)N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(NC(=O)N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H18N2O7P2S/c12-10(14)13-11(21(15,16)17,22(18,19)20)7-4-8-23-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,12,13,14)(H2,15,16,17)(H2,18,19,20)