3-(octan-2-yloxymethyl)benzenecarbothioamide

Systemtic Name: 3-(octan-2-yloxymethyl)benzenecarbothioamide Openeye Name: 3-(1-methylheptoxymethyl)benzenecarbothioamide CAS Name: 3-(octan-2-yloxymethyl)benzenecarbothioamide IUPAC Name: 3-(octan-2-yloxymethyl)benzenecarbothioamide Traditional Name: 3-(1-methylheptoxymethyl)thiobenzamide Formula: C16H25NOS MolecularWeight: 279.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC1=CC=CC(=C1)C(=S)N

Isomeric SMILES

CCCCCCC(C)OCC1=CC=CC(=C1)C(=S)N

InChI

InChI=1S/C16H25NOS/c1-3-4-5-6-8-13(2)18-12-14-9-7-10-15(11-14)16(17)19/h7,9-11,13H,3-6,8,12H2,1-2H3,(H2,17,19)