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

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]propanamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]propanamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-2-(benzylthio)propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1COC2=C1C=C(C=C2)C(=N)N)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1COC2=C1C=C(C=C2)C(=N)N)SCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-14(27-13-15-5-3-2-4-6-15)21(25)24-10-9-17-12-26-19-8-7-16(20(22)23)11-18(17)19/h2-8,11,14,17H,9-10,12-13H2,1H3,(H3,22,23)(H,24,25)