3-(4-ethylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-ethylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(4-ethylphenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(4-ethylphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 3-(4-ethylphenyl)-2-[(2-keto-2-piperidino-ethyl)thio]quinazolin-4-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCC4

InChI

InChI=1S/C23H25N3O2S/c1-2-17-10-12-18(13-11-17)26-22(28)19-8-4-5-9-20(19)24-23(26)29-16-21(27)25-14-6-3-7-15-25/h4-5,8-13H,2-3,6-7,14-16H2,1H3