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

Systemtic Name: N-(2-ethoxyphenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-o-phenetyl-1,4-diazepane-1-carbothioamide Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=NOC(=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=NOC(=C3)C

InChI

InChI=1S/C19H26N4O2S/c1-3-24-18-8-5-4-7-17(18)20-19(26)23-10-6-9-22(11-12-23)14-16-13-15(2)25-21-16/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3,(H,20,26)