methyl 2-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetate CAS Name: 2-[[[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetic acid methyl ester Formula: C14H23N5O2S MolecularWeight: 325.42972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCC(=O)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCC(=O)OC

InChI

InChI=1S/C14H23N5O2S/c1-17-7-4-15-12(17)11-18-5-3-6-19(9-8-18)14(22)16-10-13(20)21-2/h4,7H,3,5-6,8-11H2,1-2H3,(H,16,22)