(2-phenyl-4-sulfanylidene-benzo[g]quinazolin-3-yl) hexadecanoate

Systemtic Name: (2-phenyl-4-sulfanylidene-benzo[g]quinazolin-3-yl) hexadecanoate Openeye Name: (2-phenyl-4-thioxo-benzo[g]quinazolin-3-yl) hexadecanoate CAS Name: hexadecanoic acid (2-phenyl-4-sulfanylidene-3-benzo[g]quinazolinyl) ester IUPAC Name: (2-phenyl-4-sulfanylidenebenzo[g]quinazolin-3-yl) hexadecanoate Traditional Name: palmitic acid (2-phenyl-4-thioxo-benzo[g]quinazolin-3-yl) ester Formula: C34H42N2O2S MolecularWeight: 542.77448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)ON1C(=NC2=CC3=CC=CC=C3C=C2C1=S)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)ON1C(=NC2=CC3=CC=CC=C3C=C2C1=S)C4=CC=CC=C4

InChI

InChI=1S/C34H42N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-32(37)38-36-33(27-20-15-14-16-21-27)35-31-26-29-23-19-18-22-28(29)25-30(31)34(36)39/h14-16,18-23,25-26H,2-13,17,24H2,1H3