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

Systemtic Name: ethyl 4-[[1-(thiophen-3-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[1-(3-thienylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[1-(3-thiophenylmethyl)-2-benzimidazolyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(thiophen-3-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[1-(3-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=CSC=C4

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CSC=C4

InChI

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