3-(4-butan-2-ylphenyl)-7-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[(2-keto-2-piperidino-ethyl)thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C25H28ClN3O2S MolecularWeight: 470.02672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCCCC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCCCC4

InChI

InChI=1S/C25H28ClN3O2S/c1-3-17(2)18-7-10-20(11-8-18)29-24(31)21-12-9-19(26)15-22(21)27-25(29)32-16-23(30)28-13-5-4-6-14-28/h7-12,15,17H,3-6,13-14,16H2,1-2H3