ethyl 6-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]hexanoate

Systemtic Name: ethyl 6-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]hexanoate Openeye Name: ethyl 6-[[4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbonyl]amino]hexanoate CAS Name: 6-[[oxo-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbonyl]amino]hexanoate Traditional Name: 6-[[4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbonyl]amino]hexanoic acid ethyl ester Formula: C18H30N4O3S MolecularWeight: 382.5208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC2=NC=CS2

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC2=NC=CS2

InChI

InChI=1S/C18H30N4O3S/c1-2-25-17(23)7-4-3-5-8-20-18(24)22-11-6-10-21(12-13-22)15-16-19-9-14-26-16/h9,14H,2-8,10-13,15H2,1H3,(H,20,24)