2-[4-(8-methoxyoctyl)phenyl]benzenecarbothioamide

Systemtic Name: 2-[4-(8-methoxyoctyl)phenyl]benzenecarbothioamide Openeye Name: 2-[4-(8-methoxyoctyl)phenyl]benzenecarbothioamide CAS Name: 2-[4-(8-methoxyoctyl)phenyl]benzenecarbothioamide IUPAC Name: 2-[4-(8-methoxyoctyl)phenyl]benzenecarbothioamide Traditional Name: 2-[4-(8-methoxyoctyl)phenyl]thiobenzamide Formula: C22H29NOS MolecularWeight: 355.53676

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)N

Isomeric SMILES

COCCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)N

InChI

InChI=1S/C22H29NOS/c1-24-17-9-5-3-2-4-6-10-18-13-15-19(16-14-18)20-11-7-8-12-21(20)22(23)25/h7-8,11-16H,2-6,9-10,17H2,1H3,(H2,23,25)