ethyl 4-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]butanoate

Systemtic Name: ethyl 4-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbothioylamino]butanoate Openeye Name: ethyl 4-[[4-(2-furylmethyl)-1,4-diazepane-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(2-furfuryl)-1,4-diazepane-1-carbothioyl]amino]butyric acid ethyl ester Formula: C17H27N3O3S MolecularWeight: 353.47958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)N1CCCN(CC1)CC2=CC=CO2

Isomeric SMILES

CCOC(=O)CCCNC(=S)N1CCCN(CC1)CC2=CC=CO2

InChI

InChI=1S/C17H27N3O3S/c1-2-22-16(21)7-3-8-18-17(24)20-10-5-9-19(11-12-20)14-15-6-4-13-23-15/h4,6,13H,2-3,5,7-12,14H2,1H3,(H,18,24)