N-(1,3-benzodioxol-5-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N4O3S/c1-13-9-15(20-25-13)11-21-5-2-6-22(8-7-21)18(26)19-14-3-4-16-17(10-14)24-12-23-16/h3-4,9-10H,2,5-8,11-12H2,1H3,(H,19,26)