(E)-3-(4-heptylsulfanylphenyl)prop-2-enethioamide

Systemtic Name: (E)-3-(4-heptylsulfanylphenyl)prop-2-enethioamide Openeye Name: (E)-3-(4-heptylsulfanylphenyl)prop-2-enethioamide CAS Name: (E)-3-[4-(heptylthio)phenyl]-2-propenethioamide IUPAC Name: (E)-3-(4-heptylsulfanylphenyl)prop-2-enethioamide Traditional Name: (E)-3-[4-(heptylthio)phenyl]thioacrylamide Formula: C16H23NS2 MolecularWeight: 293.49052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCSC1=CC=C(C=C1)/C=C/C(=S)N

InChI

InChI=1S/C16H23NS2/c1-2-3-4-5-6-13-19-15-10-7-14(8-11-15)9-12-16(17)18/h7-12H,2-6,13H2,1H3,(H2,17,18)/b12-9+