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

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenylazanyl-quinazolin-4-one Openeye Name: 3-anilino-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-anilino-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-anilino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 3-anilino-2-[(2-keto-2-piperidino-ethyl)thio]quinazolin-4-one Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(24-13-7-2-8-14-24)15-28-21-22-18-12-6-5-11-17(18)20(27)25(21)23-16-9-3-1-4-10-16/h1,3-6,9-12,23H,2,7-8,13-15H2