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

Systemtic Name: 4-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(2-furylmethyl)-N-(tetrahydrofuran-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(2-furanylmethyl)-N-(2-oxolanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-(tetrahydrofurfuryl)-1,4-diazepane-1-carbothioamide Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C16H25N3O2S/c22-16(17-12-14-4-1-10-20-14)19-7-3-6-18(8-9-19)13-15-5-2-11-21-15/h2,5,11,14H,1,3-4,6-10,12-13H2,(H,17,22)