4-(furan-2-ylmethyl)-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Openeye Name: 4-(2-furylmethyl)-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(2-furanylmethyl)-N-(3-pyridinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(furan-2-ylmethyl)-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CN=CC=C2)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CN=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C16H20N4OS/c22-16(18-14-4-1-6-17-12-14)20-8-3-7-19(9-10-20)13-15-5-2-11-21-15/h1-2,4-6,11-12H,3,7-10,13H2,(H,18,22)