3-butan-2-yl-2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-butan-2-yl-2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]sulfanyl-3-sec-butyl-quinazolin-4-one CAS Name: 3-butan-2-yl-2-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-butan-2-yl-2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(4-cyclohexylphenyl)-2-keto-ethyl]thio]-3-sec-butyl-quinazolin-4-one Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C26H30N2O2S/c1-3-18(2)28-25(30)22-11-7-8-12-23(22)27-26(28)31-17-24(29)21-15-13-20(14-16-21)19-9-5-4-6-10-19/h7-8,11-16,18-19H,3-6,9-10,17H2,1-2H3