N-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide Openeye Name: N-[4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioyl]furan-2-carboxamide CAS Name: N-[[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioyl]furan-2-carboxamide Traditional Name: N-[4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioyl]-2-furamide Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CO2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CO2)CC3=CC=CC=N3

InChI

InChI=1S/C17H20N4O2S/c22-16(15-6-3-12-23-15)19-17(24)21-9-4-8-20(10-11-21)13-14-5-1-2-7-18-14/h1-3,5-7,12H,4,8-11,13H2,(H,19,22,24)