methyl 2-[[4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4-diazepan-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4-diazepan-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[4-(2-benzyloxy-2-oxo-ethyl)-1,4-diazepane-1-carbothioyl]amino]acetate CAS Name: 2-[[[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepane-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-(2-benzoxy-2-keto-ethyl)-1,4-diazepane-1-carbothioyl]amino]acetic acid methyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1CCCN(CC1)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CNC(=S)N1CCCN(CC1)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O4S/c1-24-16(22)12-19-18(26)21-9-5-8-20(10-11-21)13-17(23)25-14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,19,26)