methyl 2-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioyl]amino]acetate CAS Name: 2-[[sulfanylidene-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioyl]amino]acetic acid methyl ester Formula: C13H20N4O2S2 MolecularWeight: 328.4535

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1CCCN(CC1)CC2=NC=CS2

Isomeric SMILES

COC(=O)CNC(=S)N1CCCN(CC1)CC2=NC=CS2

InChI

InChI=1S/C13H20N4O2S2/c1-19-12(18)9-15-13(20)17-5-2-4-16(6-7-17)10-11-14-3-8-21-11/h3,8H,2,4-7,9-10H2,1H3,(H,15,20)