hexadecyl 4-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-4-oxidanylidene-butanoate

Systemtic Name: hexadecyl 4-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-4-oxidanylidene-butanoate Openeye Name: hexadecyl 4-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-4-oxo-butanoate CAS Name: 4-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-4-oxobutanoic acid hexadecyl ester IUPAC Name: hexadecyl 4-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-4-oxobutanoate Traditional Name: 4-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-4-keto-butyric acid cetyl ester Formula: C34H52N2O4S MolecularWeight: 584.85268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)SC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)SC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

InChI

InChI=1S/C34H52N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-27-40-31(37)25-26-32(38)41-34-35-30-24-19-18-23-29(30)33(39)36(34)28-21-16-15-17-22-28/h18-19,23-24,28H,2-17,20-22,25-27H2,1H3