4-[[7-bromanyl-2-[(1S)-1-phenylethyl]-3H-benzimidazol-5-yl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[[7-bromanyl-2-[(1S)-1-phenylethyl]-3H-benzimidazol-5-yl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[[7-bromo-2-[(1S)-1-phenylethyl]-3H-benzimidazol-5-yl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[[7-bromo-2-[(1S)-1-phenylethyl]-3H-benzimidazol-5-yl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[[7-bromo-2-[(1S)-1-phenylethyl]-3H-benzimidazol-5-yl]sulfonyl]-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[[7-bromo-2-[(1S)-1-phenylethyl]-3H-benzimidazol-5-yl]sulfonyl]-5-(methylthio)thiophene-2-carboxamidine Formula: C21H19BrN4O2S3 MolecularWeight: 535.50016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=NC3=C(C=C(C=C3N2)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC)Br

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)C2=NC3=C(C=C(C=C3N2)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC)Br

InChI

InChI=1S/C21H19BrN4O2S3/c1-11(12-6-4-3-5-7-12)20-25-15-9-13(8-14(22)18(15)26-20)31(27,28)17-10-16(19(23)24)30-21(17)29-2/h3-11H,1-2H3,(H3,23,24)(H,25,26)/t11-/m0/s1