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

Systemtic Name: 4-(furan-2-ylmethyl)-N-(methoxymethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(2-furylmethyl)-N-(methoxymethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(2-furanylmethyl)-N-(methoxymethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(furan-2-ylmethyl)-N-(methoxymethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-(methoxymethyl)-1,4-diazepane-1-carbothioamide Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

COCNC(=S)N1CCCN(CC1)CC2=CC=CO2

Isomeric SMILES

COCNC(=S)N1CCCN(CC1)CC2=CC=CO2

InChI

InChI=1S/C13H21N3O2S/c1-17-11-14-13(19)16-6-3-5-15(7-8-16)10-12-4-2-9-18-12/h2,4,9H,3,5-8,10-11H2,1H3,(H,14,19)