N,N-diethylethanamine; N,N-dimethylmethanamide; [1-oxidanyl-3-(phenylcarbamothioylamino)-1-phosphono-propyl]phosphonic acid

Systemtic Name: N,N-diethylethanamine; N,N-dimethylmethanamide; [1-oxidanyl-3-(phenylcarbamothioylamino)-1-phosphono-propyl]phosphonic acid Openeye Name: N,N-diethylethanamine; N,N-dimethylformamide; [1-hydroxy-3-(phenylcarbamothioylamino)-1-phosphono-propyl]phosphonic acid CAS Name: [3-[[anilino(sulfanylidene)methyl]amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid; N,N-diethylethanamine; N,N-dimethylformamide IUPAC Name: N,N-diethylethanamine; N,N-dimethylformamide; [1-hydroxy-3-(phenylcarbamothioylamino)-1-phosphonopropyl]phosphonic acid Traditional Name: N,N-dimethylformamide; [1-hydroxy-3-(phenylthiocarbamoylamino)-1-phosphono-propyl]phosphonic acid; triethylamine Formula: C25H53N5O8P2S MolecularWeight: 645.729542

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CCN(CC)CC.CN(C)C=O.C1=CC=C(C=C1)NC(=S)NCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCN(CC)CC.CCN(CC)CC.CN(C)C=O.C1=CC=C(C=C1)NC(=S)NCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H16N2O7P2S.2C6H15N.C3H7NO/c13-10(20(14,15)16,21(17,18)19)6-7-11-9(22)12-8-4-2-1-3-5-8;2*1-4-7(5-2)6-3;1-4(2)3-5/h1-5,13H,6-7H2,(H2,11,12,22)(H2,14,15,16)(H2,17,18,19);2*4-6H2,1-3H3;3H,1-2H3