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

Systemtic Name: 2-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-cyclohexylphenyl)-2-keto-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C25H28N2O3S/c28-16-6-15-27-24(30)21-9-4-5-10-22(21)26-25(27)31-17-23(29)20-13-11-19(12-14-20)18-7-2-1-3-8-18/h4-5,9-14,18,28H,1-3,6-8,15-17H2