3-[2-(2,3,5-trimethylphenoxy)ethoxy]benzenecarbothioamide

Systemtic Name: 3-[2-(2,3,5-trimethylphenoxy)ethoxy]benzenecarbothioamide Openeye Name: 3-[2-(2,3,5-trimethylphenoxy)ethoxy]benzenecarbothioamide CAS Name: 3-[2-(2,3,5-trimethylphenoxy)ethoxy]benzenecarbothioamide IUPAC Name: 3-[2-(2,3,5-trimethylphenoxy)ethoxy]benzenecarbothioamide Traditional Name: 3-[2-(2,3,5-trimethylphenoxy)ethoxy]thiobenzamide Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCOC2=CC=CC(=C2)C(=S)N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCOC2=CC=CC(=C2)C(=S)N)C)C

InChI

InChI=1S/C18H21NO2S/c1-12-9-13(2)14(3)17(10-12)21-8-7-20-16-6-4-5-15(11-16)18(19)22/h4-6,9-11H,7-8H2,1-3H3,(H2,19,22)