4-ethanoyl-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-ethanoyl-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NCC2=CC=CO2

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NCC2=CC=CO2

InChI

InChI=1S/C13H19N3O2S/c1-11(17)15-5-3-6-16(8-7-15)13(19)14-10-12-4-2-9-18-12/h2,4,9H,3,5-8,10H2,1H3,(H,14,19)