N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[cyano(diethoxyphosphoryl)methyl]benzamide

Systemtic Name: N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[cyano(diethoxyphosphoryl)methyl]benzamide Openeye Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[cyano(diethoxyphosphoryl)methyl]benzamide CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[cyano(diethoxyphosphoryl)methyl]benzamide IUPAC Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[cyano(diethoxyphosphoryl)methyl]benzamide Traditional Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[cyano(diethoxyphosphoryl)methyl]benzamide Formula: C23H24N3O4PS MolecularWeight: 469.493121

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C#N)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N)OCC

Isomeric SMILES

CCOP(=O)(C(C#N)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N)OCC

InChI

InChI=1S/C23H24N3O4PS/c1-3-29-31(28,30-4-2)21(15-24)16-7-9-17(10-8-16)23(27)26-20-14-18(11-12-19(20)25)22-6-5-13-32-22/h5-14,21H,3-4,25H2,1-2H3,(H,26,27)