ethyl 4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[1-(thiazol-4-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[1-(4-thiazolylmethyl)-2-benzimidazolyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[1-(thiazol-4-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CSC=N4

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CSC=N4

InChI

InChI=1S/C20H25N5O2S/c1-2-27-20(26)24-10-5-6-15(9-11-24)22-19-23-17-7-3-4-8-18(17)25(19)12-16-13-28-14-21-16/h3-4,7-8,13-15H,2,5-6,9-12H2,1H3,(H,22,23)