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

Systemtic Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-methyl-3-isoxazolyl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=NOC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=NOC(=C3)C)C

InChI

InChI=1S/C20H28N4OS/c1-14-10-16(3)19(11-15(14)2)21-20(26)24-7-5-6-23(8-9-24)13-18-12-17(4)25-22-18/h10-12H,5-9,13H2,1-4H3,(H,21,26)