S-propyl N-(6-tert-butyl-3-cyclohexyl-2-oxidanylidene-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)carbamothioate

Systemtic Name: S-propyl N-(6-tert-butyl-3-cyclohexyl-2-oxidanylidene-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)carbamothioate Openeye Name: S-propyl N-(6-tert-butyl-3-cyclohexyl-2-oxo-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)carbamothioate CAS Name: N-(6-tert-butyl-3-cyclohexyl-2-oxo-4H-1,3,2$l^{5}-benzoxazaphosphorin-2-yl)carbamothioic acid S-propyl ester IUPAC Name: S-propyl N-(6-tert-butyl-3-cyclohexyl-2-oxo-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)carbamothioate Traditional Name: N-(6-tert-butyl-3-cyclohexyl-2-keto-4H-1,3,2$l^{5}-benzoxazaphosphorin-2-yl)thiocarbamic acid S-propyl ester Formula: C21H33N2O3PS MolecularWeight: 424.537081

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)NP1(=O)N(CC2=C(O1)C=CC(=C2)C(C)(C)C)C3CCCCC3

Isomeric SMILES

CCCSC(=O)NP1(=O)N(CC2=C(O1)C=CC(=C2)C(C)(C)C)C3CCCCC3

InChI

InChI=1S/C21H33N2O3PS/c1-5-13-28-20(24)22-27(25)23(18-9-7-6-8-10-18)15-16-14-17(21(2,3)4)11-12-19(16)26-27/h11-12,14,18H,5-10,13,15H2,1-4H3,(H,22,24,25)