4-[(2-tert-butyl-4-ethyl-phenoxy)methyl]benzenecarbothioamide

Systemtic Name: 4-[(2-tert-butyl-4-ethyl-phenoxy)methyl]benzenecarbothioamide Openeye Name: 4-[(2-tert-butyl-4-ethyl-phenoxy)methyl]benzenecarbothioamide CAS Name: 4-[(2-tert-butyl-4-ethylphenoxy)methyl]benzenecarbothioamide IUPAC Name: 4-[(2-tert-butyl-4-ethylphenoxy)methyl]benzenecarbothioamide Traditional Name: 4-[(2-tert-butyl-4-ethyl-phenoxy)methyl]thiobenzamide Formula: C20H25NOS MolecularWeight: 327.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=S)N)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=S)N)C(C)(C)C

InChI

InChI=1S/C20H25NOS/c1-5-14-8-11-18(17(12-14)20(2,3)4)22-13-15-6-9-16(10-7-15)19(21)23/h6-12H,5,13H2,1-4H3,(H2,21,23)