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

Systemtic Name: N-(2-ethoxyphenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-o-phenetyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2S/c1-2-29-20-12-7-6-11-19(20)24-23(31)28-14-8-13-27(15-16-28)17-21-25-22(30-26-21)18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3,(H,24,31)