(E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[4-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[4-(methylthio)phenyl]acrylamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C=CC3=CC=C(C=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS2/c1-26-14-13-19(21-23-17-5-3-4-6-18(17)24-21)22-20(25)12-9-15-7-10-16(27-2)11-8-15/h3-12,19H,13-14H2,1-2H3,(H,22,25)(H,23,24)/b12-9+/t19-/m0/s1