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

Systemtic Name: 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-ethylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[[5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-ethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[[5-(3,5-dimethyl-4-isoxazolyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-ethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-ethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[[5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-ethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=NOC(=N3)C4=C(ON=C4C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=NOC(=N3)C4=C(ON=C4C)C

InChI

InChI=1S/C22H28N6O2S/c1-4-17-7-5-8-18(13-17)23-22(31)28-10-6-9-27(11-12-28)14-19-24-21(30-26-19)20-15(2)25-29-16(20)3/h5,7-8,13H,4,6,9-12,14H2,1-3H3,(H,23,31)