4-[[3-[3-azanylpropyl-[(6-fluoranyl-1-benzothiophen-2-yl)sulfonyl]amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide

Systemtic Name: 4-[[3-[3-azanylpropyl-[(6-fluoranyl-1-benzothiophen-2-yl)sulfonyl]amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Openeye Name: 4-[[3-[3-aminopropyl-(6-fluorobenzothiophen-2-yl)sulfonyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]thiophene-2-carboxamidine CAS Name: 4-[[3-[3-aminopropyl-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]amino]-2-oxo-1-pyrrolidinyl]methyl]-2-thiophenecarboximidamide IUPAC Name: 4-[[3-[3-aminopropyl-[(6-fluoro-1-benzothiophen-2-yl)sulfonyl]amino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Traditional Name: 4-[[3-[3-aminopropyl-(6-fluorobenzothiophen-2-yl)sulfonyl-amino]-2-keto-pyrrolidino]methyl]thiophene-2-carboxamidine Formula: C21H24FN5O3S3 MolecularWeight: 509.640363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1N(CCCN)S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)F)CC4=CSC(=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)C1N(CCCN)S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)F)CC4=CSC(=C4)C(=N)N

InChI

InChI=1S/C21H24FN5O3S3/c22-15-3-2-14-9-19(32-17(14)10-15)33(29,30)27(6-1-5-23)16-4-7-26(21(16)28)11-13-8-18(20(24)25)31-12-13/h2-3,8-10,12,16H,1,4-7,11,23H2,(H3,24,25)