N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-pyridin-2-yl-thiophene-2-carboxamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-pyridin-2-yl-thiophene-2-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-(2-pyridyl)thiophene-2-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-(2-pyridinyl)-2-thiophenecarboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-pyridin-2-ylthiophene-2-carboxamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-5-(2-pyridyl)thiophene-2-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC=C(S3)C4=CC=CC=N4

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC=C(S3)C4=CC=CC=N4

InChI

InChI=1S/C21H20N4O2S/c22-20(23)13-4-5-17-15(11-13)14(12-27-17)8-10-25-21(26)19-7-6-18(28-19)16-3-1-2-9-24-16/h1-7,9,11,14H,8,10,12H2,(H3,22,23)(H,25,26)