4-bromanyl-N-hexyl-N-[methylsulfanyl(prop-2-ynoxy)phosphoryl]butanamide

Systemtic Name: 4-bromanyl-N-hexyl-N-[methylsulfanyl(prop-2-ynoxy)phosphoryl]butanamide Openeye Name: 4-bromo-N-hexyl-N-[methylsulfanyl(prop-2-ynoxy)phosphoryl]butanamide CAS Name: 4-bromo-N-hexyl-N-[(methylthio)-prop-2-ynoxyphosphoryl]butanamide IUPAC Name: 4-bromo-N-hexyl-N-[methylsulfanyl(prop-2-ynoxy)phosphoryl]butanamide Traditional Name: 4-bromo-N-hexyl-N-[(methylthio)-propargyloxy-phosphoryl]butyramide Formula: C14H25BrNO3PS MolecularWeight: 398.295961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(=O)CCCBr)P(=O)(OCC#C)SC

Isomeric SMILES

CCCCCCN(C(=O)CCCBr)P(=O)(OCC#C)SC

InChI

InChI=1S/C14H25BrNO3PS/c1-4-6-7-8-12-16(14(17)10-9-11-15)20(18,21-3)19-13-5-2/h2H,4,6-13H2,1,3H3