N-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide Openeye Name: N-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioyl]furan-2-carboxamide CAS Name: N-[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioyl]furan-2-carboxamide Traditional Name: N-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioyl]-2-furamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H22N4O2S/c1-14-5-2-6-15(19-14)13-21-8-4-9-22(11-10-21)18(25)20-17(23)16-7-3-12-24-16/h2-3,5-7,12H,4,8-11,13H2,1H3,(H,20,23,25)