4-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]carbonyl-5-phenyl-thiolan-3-one

Systemtic Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]carbonyl-5-phenyl-thiolan-3-one Openeye Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)benzoyl]-5-phenyl-tetrahydrothiophen-3-one CAS Name: 4-[[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-oxomethyl]-5-phenyl-3-thiolanone IUPAC Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)benzoyl]-5-phenylthiolan-3-one Traditional Name: 4-[4-(1H-benzimidazol-2-ylmethylamino)benzoyl]-5-phenyl-tetrahydrothiophen-3-one Formula: C25H21N3O2S MolecularWeight: 427.51814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(C(S1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C(=O)C(C(S1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H21N3O2S/c29-21-15-31-25(17-6-2-1-3-7-17)23(21)24(30)16-10-12-18(13-11-16)26-14-22-27-19-8-4-5-9-20(19)28-22/h1-13,23,25-26H,14-15H2,(H,27,28)