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

Systemtic Name: N-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide Openeye Name: N-[4-(2-furylmethyl)-1,4-diazepane-1-carbothioyl]furan-2-carboxamide CAS Name: N-[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioyl]furan-2-carboxamide Traditional Name: N-[4-(2-furfuryl)-1,4-diazepane-1-carbothioyl]-2-furamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CO2)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CO2)CC3=CC=CO3

InChI

InChI=1S/C16H19N3O3S/c20-15(14-5-2-11-22-14)17-16(23)19-7-3-6-18(8-9-19)12-13-4-1-10-21-13/h1-2,4-5,10-11H,3,6-9,12H2,(H,17,20,23)