3-(3-methylbutoxymethyl)benzenecarbothioamide

Systemtic Name: 3-(3-methylbutoxymethyl)benzenecarbothioamide Openeye Name: 3-(isopentyloxymethyl)benzenecarbothioamide CAS Name: 3-(3-methylbutoxymethyl)benzenecarbothioamide IUPAC Name: 3-(3-methylbutoxymethyl)benzenecarbothioamide Traditional Name: 3-(isoamoxymethyl)thiobenzamide Formula: C13H19NOS MolecularWeight: 237.36106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1=CC=CC(=C1)C(=S)N

Isomeric SMILES

CC(C)CCOCC1=CC=CC(=C1)C(=S)N

InChI

InChI=1S/C13H19NOS/c1-10(2)6-7-15-9-11-4-3-5-12(8-11)13(14)16/h3-5,8,10H,6-7,9H2,1-2H3,(H2,14,16)