N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-methylsulfanyl-4-oxidanylidene-3,5,6,7-tetrahydro-1H-2-benzothiophene-1-carboxamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-methylsulfanyl-4-oxidanylidene-3,5,6,7-tetrahydro-1H-2-benzothiophene-1-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-3-methylsulfanyl-4-oxo-3,5,6,7-tetrahydro-1H-2-benzothiophene-1-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-3-(methylthio)-4-oxo-3,5,6,7-tetrahydro-1H-2-benzothiophene-1-carboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-methylsulfanyl-4-oxo-3,5,6,7-tetrahydro-1H-2-benzothiophene-1-carboxamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-4-keto-3-(methylthio)-3,5,6,7-tetrahydro-1H-isobenzothiophene-1-carboxamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C2=C(CCCC2=O)C(S1)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N

Isomeric SMILES

CSC1C2=C(CCCC2=O)C(S1)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N

InChI

InChI=1S/C21H25N3O3S2/c1-28-21-17-13(3-2-4-15(17)25)18(29-21)20(26)24-8-7-12-10-27-16-6-5-11(19(22)23)9-14(12)16/h5-6,9,12,18,21H,2-4,7-8,10H2,1H3,(H3,22,23)(H,24,26)