[4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O2S/c1-2-26-17-9-10-18-19(13-17)23-21(22-18)27-14-15-5-7-16(8-6-15)20(25)24-11-3-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,23)