(1-azanyl-3-methyl-butyl)-(hexylcarbamothioyl)phosphinic acid

Systemtic Name: (1-azanyl-3-methyl-butyl)-(hexylcarbamothioyl)phosphinic acid Openeye Name: (1-amino-3-methyl-butyl)-(hexylcarbamothioyl)phosphinic acid CAS Name: (1-amino-3-methylbutyl)-[(hexylamino)-sulfanylidenemethyl]phosphinic acid IUPAC Name: (1-amino-3-methylbutyl)-(hexylcarbamothioyl)phosphinic acid Traditional Name: (1-amino-3-methyl-butyl)-(hexylthiocarbamoyl)phosphinic acid Formula: C12H27N2O2PS MolecularWeight: 294.393741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)P(=O)(C(CC(C)C)N)O

Isomeric SMILES

CCCCCCNC(=S)P(=O)(C(CC(C)C)N)O

InChI

InChI=1S/C12H27N2O2PS/c1-4-5-6-7-8-14-12(18)17(15,16)11(13)9-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,18)(H,15,16)