(2-chlorophenyl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (2-chlorophenyl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: (2-chlorophenyl)methyl 4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepane-1-carboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carboxylic acid (2-chlorobenzyl) ester Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)OCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-14-20-16(13-25-14)11-21-7-4-8-22(10-9-21)18(23)24-12-15-5-2-3-6-17(15)19/h2-3,5-6,13H,4,7-12H2,1H3