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

Systemtic Name: N-(2-ethoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(1-methylimidazol-2-yl)methyl]-N-o-phenetyl-1,4-diazepane-1-carbothioamide Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=NC=CN3C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=NC=CN3C

InChI

InChI=1S/C19H27N5OS/c1-3-25-17-8-5-4-7-16(17)21-19(26)24-11-6-10-23(13-14-24)15-18-20-9-12-22(18)2/h4-5,7-9,12H,3,6,10-11,13-15H2,1-2H3,(H,21,26)