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

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3S/c31-25(29-17-7-2-8-18-29)19-34-27-28-24-12-6-5-11-23(24)26(32)30(27)20-13-15-22(16-14-20)33-21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-19H2