(E)-3-[3,5-bis(azanyl)-4-hexadecyl-phenyl]-1-phenyl-prop-2-ene-1-thione

Systemtic Name: (E)-3-[3,5-bis(azanyl)-4-hexadecyl-phenyl]-1-phenyl-prop-2-ene-1-thione Openeye Name: (E)-3-(3,5-diamino-4-hexadecyl-phenyl)-1-phenyl-prop-2-ene-1-thione CAS Name: (E)-3-(3,5-diamino-4-hexadecylphenyl)-1-phenyl-2-propene-1-thione IUPAC Name: (E)-3-(3,5-diamino-4-hexadecylphenyl)-1-phenylprop-2-ene-1-thione Traditional Name: (E)-3-(3,5-diamino-4-cetyl-phenyl)-1-phenyl-prop-2-ene-1-thione Formula: C31H46N2S MolecularWeight: 478.77534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=C(C=C1N)C=CC(=S)C2=CC=CC=C2)N

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=C(C=C1N)/C=C/C(=S)C2=CC=CC=C2)N

InChI

InChI=1S/C31H46N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-29(32)24-26(25-30(28)33)22-23-31(34)27-19-16-15-17-20-27/h15-17,19-20,22-25H,2-14,18,21,32-33H2,1H3/b23-22+