N-ethyl-4-heptylsulfanyl-benzenecarbothioamide

Systemtic Name: N-ethyl-4-heptylsulfanyl-benzenecarbothioamide Openeye Name: N-ethyl-4-heptylsulfanyl-benzenecarbothioamide CAS Name: N-ethyl-4-(heptylthio)benzenecarbothioamide IUPAC Name: N-ethyl-4-heptylsulfanylbenzenecarbothioamide Traditional Name: N-ethyl-4-(heptylthio)thiobenzamide Formula: C16H25NS2 MolecularWeight: 295.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC=C(C=C1)C(=S)NCC

Isomeric SMILES

CCCCCCCSC1=CC=C(C=C1)C(=S)NCC

InChI

InChI=1S/C16H25NS2/c1-3-5-6-7-8-13-19-15-11-9-14(10-12-15)16(18)17-4-2/h9-12H,3-8,13H2,1-2H3,(H,17,18)