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

Systemtic Name: N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide Openeye Name: N-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepane-1-carbothioyl]furan-2-carboxamide CAS Name: N-[[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepane-1-carbothioyl]furan-2-carboxamide Traditional Name: N-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepane-1-carbothioyl]-2-furamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C17H22N4O3S/c1-12-14(13(2)24-19-12)11-20-6-4-7-21(9-8-20)17(25)18-16(22)15-5-3-10-23-15/h3,5,10H,4,6-9,11H2,1-2H3,(H,18,22,25)