N-[(2S)-6-methylheptan-2-yl]benzenecarbothioamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]benzenecarbothioamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]benzenecarbothioamide CAS Name: N-[(2S)-6-methylheptan-2-yl]benzenecarbothioamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]benzenecarbothioamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]thiobenzamide Formula: C15H23NS MolecularWeight: 249.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=S)C1=CC=CC=C1

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=S)C1=CC=CC=C1

InChI

InChI=1S/C15H23NS/c1-12(2)8-7-9-13(3)16-15(17)14-10-5-4-6-11-14/h4-6,10-13H,7-9H2,1-3H3,(H,16,17)/t13-/m0/s1