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

Systemtic Name: N-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide Openeye Name: N-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]furan-2-carboxamide CAS Name: N-[[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]furan-2-carboxamide Traditional Name: N-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioyl]-2-furamide Formula: C16H20N4O3S MolecularWeight: 348.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c1-12-10-13(18-23-12)11-19-5-3-6-20(8-7-19)16(24)17-15(21)14-4-2-9-22-14/h2,4,9-10H,3,5-8,11H2,1H3,(H,17,21,24)