N'-[3-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-methylsulfanyl-phenyl]thiophene-2-carboximidamide

Systemtic Name: N'-[3-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-methylsulfanyl-phenyl]thiophene-2-carboximidamide Openeye Name: N'-[3-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-methylsulfanyl-phenyl]thiophene-2-carboxamidine CAS Name: N'-[3-[[2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-4-(methylthio)phenyl]-2-thiophenecarboximidamide IUPAC Name: N'-[3-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-methylsulfanylphenyl]thiophene-2-carboximidamide Traditional Name: N'-[3-[(2-methylolpyrrolidino)methyl]-4-(methylthio)phenyl]thiophene-2-carboxamidine Formula: C18H23N3OS2 MolecularWeight: 361.52472

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)N=C(C2=CC=CS2)N)CN3CCCC3CO

Isomeric SMILES

CSC1=C(C=C(C=C1)N=C(C2=CC=CS2)N)CN3CCCC3CO

InChI

InChI=1S/C18H23N3OS2/c1-23-16-7-6-14(20-18(19)17-5-3-9-24-17)10-13(16)11-21-8-2-4-15(21)12-22/h3,5-7,9-10,15,22H,2,4,8,11-12H2,1H3,(H2,19,20)