N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-(1,2-dithiolan-3-yl)pentanamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-(1,2-dithiolan-3-yl)pentanamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-(dithiolan-3-yl)pentanamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-(3-dithiolanyl)pentanamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-(dithiolan-3-yl)pentanamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-5-(dithiolan-3-yl)valeramide Formula: C19H27N3O2S2 MolecularWeight: 393.56658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N

Isomeric SMILES

C1CSSC1CCCCC(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N

InChI

InChI=1S/C19H27N3O2S2/c20-19(21)13-5-6-17-16(11-13)14(12-24-17)7-9-22-18(23)4-2-1-3-15-8-10-25-26-15/h5-6,11,14-15H,1-4,7-10,12H2,(H3,20,21)(H,22,23)