N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-bromanyl-thiophene-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-bromanyl-thiophene-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-bromo-thiophene-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-bromo-3-thiophenecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-bromothiophene-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-bromo-thiophene-3-carboxamide Formula: C16H16BrN3OS2 MolecularWeight: 410.35174

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CSC(=C3)Br

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CSC(=C3)Br

InChI

InChI=1S/C16H16BrN3OS2/c1-22-7-6-13(20-16(21)10-8-14(17)23-9-10)15-18-11-4-2-3-5-12(11)19-15/h2-5,8-9,13H,6-7H2,1H3,(H,18,19)(H,20,21)/t13-/m0/s1