N-[[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide Openeye Name: N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]furan-2-carboxamide CAS Name: N-[[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]furan-2-carboxamide Traditional Name: N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]-2-furamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CO2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CO2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3S/c26-18(16-8-4-13-27-16)22-20(29)25-10-5-9-24(11-12-25)14-17-21-19(28-23-17)15-6-2-1-3-7-15/h1-4,6-8,13H,5,9-12,14H2,(H,22,26,29)