ethyl 4-[[1-(thiophen-2-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[1-(thiophen-2-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[1-(2-thienylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[1-(thiophen-2-ylmethyl)-2-benzimidazolyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(thiophen-2-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[1-(2-thenyl)benzimidazol-2-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=CS4

InChI

InChI=1S/C21H26N4O2S/c1-2-27-21(26)24-12-5-7-16(11-13-24)22-20-23-18-9-3-4-10-19(18)25(20)15-17-8-6-14-28-17/h3-4,6,8-10,14,16H,2,5,7,11-13,15H2,1H3,(H,22,23)