S-propyl N-(2-oxidanylidene-5-propoxy-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphol-2-yl)carbamothioate

Systemtic Name: S-propyl N-(2-oxidanylidene-5-propoxy-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphol-2-yl)carbamothioate Openeye Name: S-propyl N-(2-oxo-5-propoxy-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphol-2-yl)carbamothioate CAS Name: N-(2-oxo-5-propoxy-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphol-2-yl)carbamothioic acid S-propyl ester IUPAC Name: S-propyl N-(2-oxo-5-propoxy-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphol-2-yl)carbamothioate Traditional Name: N-(2-keto-5-propoxy-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphol-2-yl)thiocarbamic acid S-propyl ester Formula: C13H20N3O3PS MolecularWeight: 329.354961

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)NP(=O)(N2)NC(=O)SCCC

Isomeric SMILES

CCCOC1=CC2=C(C=C1)NP(=O)(N2)NC(=O)SCCC

InChI

InChI=1S/C13H20N3O3PS/c1-3-7-19-10-5-6-11-12(9-10)15-20(18,14-11)16-13(17)21-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H3,14,15,16,17,18)