sodium [4-[carbamothioyl(ethyl)amino]phenyl]methylphosphonic acid

Systemtic Name: sodium [4-[carbamothioyl(ethyl)amino]phenyl]methylphosphonic acid Openeye Name: sodium [4-[carbamothioyl(ethyl)amino]phenyl]methylphosphonic acid CAS Name: sodium [4-[carbamothioyl(ethyl)amino]phenyl]methylphosphonic acid IUPAC Name: sodium [4-[carbamothioyl(ethyl)amino]phenyl]methylphosphonic acid Traditional Name: sodium [4-[ethyl(thiocarbamoyl)amino]benzyl]phosphonic acid Formula: C10H15N2NaO3PS+ MolecularWeight: 297.266231

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)CP(=O)(O)O)C(=S)N.[Na+]

Isomeric SMILES

CCN(C1=CC=C(C=C1)CP(=O)(O)O)C(=S)N.[Na+]

InChI

InChI=1S/C10H15N2O3PS.Na/c1-2-12(10(11)17)9-5-3-8(4-6-9)7-16(13,14)15;/h3-6H,2,7H2,1H3,(H2,11,17)(H2,13,14,15);/q;+1