N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-but-2-enamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-but-2-enamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-but-2-enamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methyl-2-butenamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methylbut-2-enamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methyl-but-2-enamide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC(CCSC)C1=NC2=CC=CC=C2N1)C

Isomeric SMILES

CC(=CC(=O)NC(CCSC)C1=NC2=CC=CC=C2N1)C

InChI

InChI=1S/C16H21N3OS/c1-11(2)10-15(20)17-14(8-9-21-3)16-18-12-6-4-5-7-13(12)19-16/h4-7,10,14H,8-9H2,1-3H3,(H,17,20)(H,18,19)