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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-19-24(20(2)31-27-19)17-28-13-6-14-29(16-15-28)25(32)26-22-9-11-23(12-10-22)30-18-21-7-4-3-5-8-21/h3-5,7-12H,6,13-18H2,1-2H3,(H,26,32)