4-(3-methylbutoxymethyl)benzenecarbothioamide

Systemtic Name: 4-(3-methylbutoxymethyl)benzenecarbothioamide Openeye Name: 4-(isopentyloxymethyl)benzenecarbothioamide CAS Name: 4-(3-methylbutoxymethyl)benzenecarbothioamide IUPAC Name: 4-(3-methylbutoxymethyl)benzenecarbothioamide Traditional Name: 4-(isoamoxymethyl)thiobenzamide Formula: C13H19NOS MolecularWeight: 237.36106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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