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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=C(ON=C3C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=C(ON=C3C)C

InChI

InChI=1S/C20H28N4OS/c1-4-17-7-5-8-18(13-17)21-20(26)24-10-6-9-23(11-12-24)14-19-15(2)22-25-16(19)3/h5,7-8,13H,4,6,9-12,14H2,1-3H3,(H,21,26)