N-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-benzyl-N-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-benzyl-N-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-benzyl-N-p-anisyl-1,4-diazepane-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-25-20-10-8-18(9-11-20)16-22-21(26)24-13-5-12-23(14-15-24)17-19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3,(H,22,26)