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

Systemtic Name: N-(4-phenylmethoxyphenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(4-phenylmethoxyphenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-phenylmethoxyphenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=NOC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=NOC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2S/c36-28(29-24-12-14-25(15-13-24)34-21-22-8-3-1-4-9-22)33-17-7-16-32(18-19-33)20-26-30-27(35-31-26)23-10-5-2-6-11-23/h1-6,8-15H,7,16-21H2,(H,29,36)