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

Systemtic Name: N-(2-ethoxyphenyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(6-methyl-2-pyridyl)methyl]-N-o-phenetyl-1,4-diazepane-1-carbothioamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CC(=N3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CC(=N3)C

InChI

InChI=1S/C21H28N4OS/c1-3-26-20-11-5-4-10-19(20)23-21(27)25-13-7-12-24(14-15-25)16-18-9-6-8-17(2)22-18/h4-6,8-11H,3,7,12-16H2,1-2H3,(H,23,27)