N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chloranylphenoxy)propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chloranylphenoxy)propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chlorophenoxy)propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-chlorophenoxy)propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-chlorophenoxy)propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-chlorophenoxy)propionamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C1=NC2=CC=CC=C2N1)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)N[C@@H](CCSC)C1=NC2=CC=CC=C2N1)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-13(26-15-9-7-14(21)8-10-15)20(25)24-18(11-12-27-2)19-22-16-5-3-4-6-17(16)23-19/h3-10,13,18H,11-12H2,1-2H3,(H,22,23)(H,24,25)/t13?,18-/m0/s1