N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-phenoxyethanoylamino)propanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-phenoxyethanoylamino)propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[(2-phenoxyacetyl)amino]propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[(1-oxo-2-phenoxyethyl)amino]propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[(2-phenoxyacetyl)amino]propanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[(2-phenoxyacetyl)amino]propionamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C1=NC2=CC=CC=C2N1)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(CCSC)C1=NC2=CC=CC=C2N1)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S/c1-15(23-20(27)14-29-16-8-4-3-5-9-16)22(28)26-19(12-13-30-2)21-24-17-10-6-7-11-18(17)25-21/h3-11,15,19H,12-14H2,1-2H3,(H,23,27)(H,24,25)(H,26,28)