N-[[hexylcarbamoyl(methyl)amino]-pentan-2-yloxy-phosphinothioyl]-N-methyl-benzamide

Systemtic Name: N-[[hexylcarbamoyl(methyl)amino]-pentan-2-yloxy-phosphinothioyl]-N-methyl-benzamide Openeye Name: N-[[hexylcarbamoyl(methyl)amino]-(1-methylbutoxy)phosphinothioyl]-N-methyl-benzamide CAS Name: N-[[[(hexylamino)-oxomethyl]-methylamino]-pentan-2-yloxyphosphinothioyl]-N-methylbenzamide IUPAC Name: N-[[hexylcarbamoyl(methyl)amino]-pentan-2-yloxyphosphinothioyl]-N-methylbenzamide Traditional Name: N-[[hexylcarbamoyl(methyl)amino]-(1-methylbutoxy)thiophosphoryl]-N-methyl-benzamide Formula: C21H36N3O3PS MolecularWeight: 441.567601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(C)P(=S)(N(C)C(=O)C1=CC=CC=C1)OC(C)CCC

Isomeric SMILES

CCCCCCNC(=O)N(C)P(=S)(N(C)C(=O)C1=CC=CC=C1)OC(C)CCC

InChI

InChI=1S/C21H36N3O3PS/c1-6-8-9-13-17-22-21(26)24(5)28(29,27-18(3)14-7-2)23(4)20(25)19-15-11-10-12-16-19/h10-12,15-16,18H,6-9,13-14,17H2,1-5H3,(H,22,26)