4-(4-methylpentoxymethyl)benzenecarbothioamide

Systemtic Name: 4-(4-methylpentoxymethyl)benzenecarbothioamide Openeye Name: 4-(isohexyloxymethyl)benzenecarbothioamide CAS Name: 4-(4-methylpentoxymethyl)benzenecarbothioamide IUPAC Name: 4-(4-methylpentoxymethyl)benzenecarbothioamide Traditional Name: 4-(isohexyloxymethyl)thiobenzamide Formula: C14H21NOS MolecularWeight: 251.38764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOCC1=CC=C(C=C1)C(=S)N

Isomeric SMILES

CC(C)CCCOCC1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C14H21NOS/c1-11(2)4-3-9-16-10-12-5-7-13(8-6-12)14(15)17/h5-8,11H,3-4,9-10H2,1-2H3,(H2,15,17)