4-[7-bromanyl-1-[(1S)-1-phenylethyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[7-bromanyl-1-[(1S)-1-phenylethyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[7-bromo-1-[(1S)-1-phenylethyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[[7-bromo-1-[(1S)-1-phenylethyl]-5-benzimidazolyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[7-bromo-1-[(1S)-1-phenylethyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[7-bromo-1-[(1S)-1-phenylethyl]benzimidazol-5-yl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C21H19BrN4O2S3 MolecularWeight: 535.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC3=CC(=CC(=C32)Br)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2C=NC3=CC(=CC(=C32)Br)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC

InChI

InChI=1S/C21H19BrN4O2S3/c1-12(13-6-4-3-5-7-13)26-11-25-16-9-14(8-15(22)19(16)26)31(27,28)18-10-17(20(23)24)30-21(18)29-2/h3-12H,1-2H3,(H3,23,24)/t12-/m0/s1