2-(2-ethylbenzimidazol-1-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-ethyl-1-benzimidazolyl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(2-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H26N4OS/c1-2-20-22-18-8-3-4-9-19(18)25(20)16-21(26)24-11-6-10-23(12-13-24)15-17-7-5-14-27-17/h3-5,7-9,14H,2,6,10-13,15-16H2,1H3