(E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[(4-amidinophenyl)-diphenoxyphosphoryl-methyl]-3-(2-thienyl)acrylamide Formula: C27H24N3O4PS MolecularWeight: 517.535921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)C(=N)N)NC(=O)C=CC3=CC=CS3)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)C(=N)N)NC(=O)/C=C/C3=CC=CS3)OC4=CC=CC=C4

InChI

InChI=1S/C27H24N3O4PS/c28-26(29)20-13-15-21(16-14-20)27(30-25(31)18-17-24-12-7-19-36-24)35(32,33-22-8-3-1-4-9-22)34-23-10-5-2-6-11-23/h1-19,27H,(H3,28,29)(H,30,31)/b18-17+