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

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-phenyl-quinazolin-4-one CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-phenyl-4-quinazolinone IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazolin-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-phenyl-quinazolin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c25-19(23-13-7-2-8-14-23)15-27-21-22-18-12-6-5-11-17(18)20(26)24(21)16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2