(E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)-2-propenamide IUPAC Name: (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanylprop-2-enamide Traditional Name: (E)-2-cyano-3-[[dipropoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)acrylamide Formula: C18H26N3O4PS MolecularWeight: 411.455501

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(C(C1=CC=CC=C1)NC(=C(C#N)C(=O)N)SC)OCCC

Isomeric SMILES

CCCOP(=O)(C(C1=CC=CC=C1)N/C(=C(/C#N)\C(=O)N)/SC)OCCC

InChI

InChI=1S/C18H26N3O4PS/c1-4-11-24-26(23,25-12-5-2)17(14-9-7-6-8-10-14)21-18(27-3)15(13-19)16(20)22/h6-10,17,21H,4-5,11-12H2,1-3H3,(H2,20,22)/b18-15+