2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(cyclohexylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(cyclohexylmethyl)quinazolin-4-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-(cyclohexylmethyl)quinazolin-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-(cyclohexylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(cyclohexylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-(cyclohexylmethyl)quinazolin-4-one Formula: C23H23ClN2O2S MolecularWeight: 426.95892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN2O2S/c24-18-12-10-17(11-13-18)21(27)15-29-23-25-20-9-5-4-8-19(20)22(28)26(23)14-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2