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

Systemtic Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-methyl-3-isoxazolyl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2S/c1-19-16-22(26-30-19)17-27-12-5-13-28(15-14-27)24(31)25-21-8-10-23(11-9-21)29-18-20-6-3-2-4-7-20/h2-4,6-11,16H,5,12-15,17-18H2,1H3,(H,25,31)