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

Systemtic Name: methyl 2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[4-(2-furylmethyl)-1,4-diazepane-1-carbothioyl]amino]acetate CAS Name: 2-[[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-(2-furfuryl)-1,4-diazepane-1-carbothioyl]amino]acetic acid methyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1CCCN(CC1)CC2=CC=CO2

Isomeric SMILES

COC(=O)CNC(=S)N1CCCN(CC1)CC2=CC=CO2

InChI

InChI=1S/C14H21N3O3S/c1-19-13(18)10-15-14(21)17-6-3-5-16(7-8-17)11-12-4-2-9-20-12/h2,4,9H,3,5-8,10-11H2,1H3,(H,15,21)