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

Systemtic Name: S-butyl N-(2-oxidanylidene-5-propoxy-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphol-2-yl)carbamothioate Openeye Name: S-butyl N-(2-oxo-5-propoxy-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphol-2-yl)carbamothioate CAS Name: N-(2-oxo-5-propoxy-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphol-2-yl)carbamothioic acid S-butyl ester IUPAC Name: S-butyl N-(2-oxo-5-propoxy-1,3-dihydro-1,3,2$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-butyl ester Formula: C14H22N3O3PS MolecularWeight: 343.381541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=O)NP1(=O)NC2=C(N1)C=C(C=C2)OCCC

Isomeric SMILES

CCCCSC(=O)NP1(=O)NC2=C(N1)C=C(C=C2)OCCC

InChI

InChI=1S/C14H22N3O3PS/c1-3-5-9-22-14(18)17-21(19)15-12-7-6-11(20-8-4-2)10-13(12)16-21/h6-7,10H,3-5,8-9H2,1-2H3,(H3,15,16,17,18,19)