2-[4-(butoxymethyl)phenyl]benzenecarbothioamide

Systemtic Name: 2-[4-(butoxymethyl)phenyl]benzenecarbothioamide Openeye Name: 2-[4-(butoxymethyl)phenyl]benzenecarbothioamide CAS Name: 2-[4-(butoxymethyl)phenyl]benzenecarbothioamide IUPAC Name: 2-[4-(butoxymethyl)phenyl]benzenecarbothioamide Traditional Name: 2-[4-(butoxymethyl)phenyl]thiobenzamide Formula: C18H21NOS MolecularWeight: 299.43044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)N

Isomeric SMILES

CCCCOCC1=CC=C(C=C1)C2=CC=CC=C2C(=S)N

InChI

InChI=1S/C18H21NOS/c1-2-3-12-20-13-14-8-10-15(11-9-14)16-6-4-5-7-17(16)18(19)21/h4-11H,2-3,12-13H2,1H3,(H2,19,21)