(2-chlorophenyl)methyl 4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxylate

Systemtic Name: (2-chlorophenyl)methyl 4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxylate Openeye Name: (2-chlorophenyl)methyl 4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-thiazolylmethyl)-1,4-diazepane-1-carboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carboxylic acid (2-chlorobenzyl) ester Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2Cl)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2Cl)CC3=NC=CS3

InChI

InChI=1S/C17H20ClN3O2S/c18-15-5-2-1-4-14(15)13-23-17(22)21-8-3-7-20(9-10-21)12-16-19-6-11-24-16/h1-2,4-6,11H,3,7-10,12-13H2