[azanyl(pyridin-3-ylmethylcarbamoylsulfanyl)phosphoryl] N-(pyridin-3-ylmethyl)carbamate

Systemtic Name: [azanyl(pyridin-3-ylmethylcarbamoylsulfanyl)phosphoryl] N-(pyridin-3-ylmethyl)carbamate Openeye Name: [amino(3-pyridylmethylcarbamoylsulfanyl)phosphoryl] N-(3-pyridylmethyl)carbamate CAS Name: N-(3-pyridinylmethyl)carbamic acid [amino-[[oxo-(3-pyridinylmethylamino)methyl]thio]phosphoryl] ester IUPAC Name: [amino(pyridin-3-ylmethylcarbamoylsulfanyl)phosphoryl] N-(pyridin-3-ylmethyl)carbamate Traditional Name: N-(3-pyridylmethyl)carbamic acid [amino-(3-pyridylmethylcarbamoylthio)phosphoryl] ester Formula: C14H16N5O4PS MolecularWeight: 381.346701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)OP(=O)(N)SC(=O)NCC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)OP(=O)(N)SC(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C14H16N5O4PS/c15-24(22,23-13(20)18-9-11-3-1-5-16-7-11)25-14(21)19-10-12-4-2-6-17-8-12/h1-8H,9-10H2,(H2,15,22)(H,18,20)(H,19,21)