1-methyl-3-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]benzimidazol-2-one

Systemtic Name: 1-methyl-3-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]benzimidazol-2-one Openeye Name: 1-methyl-3-[3-oxo-3-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propyl]benzimidazol-2-one CAS Name: 1-methyl-3-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]-2-benzimidazolone IUPAC Name: 1-methyl-3-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]benzimidazol-2-one Traditional Name: 1-[3-keto-3-[4-(2-thenyl)-1,4-diazepan-1-yl]propyl]-3-methyl-benzimidazol-2-one Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H26N4O2S/c1-22-18-7-2-3-8-19(18)25(21(22)27)12-9-20(26)24-11-5-10-23(13-14-24)16-17-6-4-15-28-17/h2-4,6-8,15H,5,9-14,16H2,1H3