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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide Formula: C19H26N4OS2 MolecularWeight: 390.56594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

InChI

InChI=1S/C19H26N4OS2/c1-14-16(15(2)24-21-14)13-22-9-6-10-23(12-11-22)19(25)20-17-7-4-5-8-18(17)26-3/h4-5,7-8H,6,9-13H2,1-3H3,(H,20,25)