N-(2,2-diphenylethyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2,2-diphenylethyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(2,2-diphenylethyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(2,2-diphenylethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2,2-diphenylethyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(2,2-diphenylethyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide Formula: C27H32N4S MolecularWeight: 444.63478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4S/c1-22-10-8-15-25(29-22)21-30-16-9-17-31(19-18-30)27(32)28-20-26(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-8,10-15,26H,9,16-21H2,1H3,(H,28,32)