3-[2,2-dideuterio-2-[4-(4-nitrophenyl)carbonylpiperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2,2-dideuterio-2-[4-(4-nitrophenyl)carbonylpiperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2,2-dideuterio-2-[4-(4-nitrobenzoyl)-1-piperidyl]ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2,2-dideuterio-2-[4-[(4-nitrophenyl)-oxomethyl]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2,2-dideuterio-2-[4-(4-nitrobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2,2-dideuterio-2-[4-(4-nitrobenzoyl)piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H22N4O4S MolecularWeight: 440.511804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

[2H]C([2H])(CN1C(=O)C2=CC=CC=C2NC1=S)N3CCC(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c27-20(15-5-7-17(8-6-15)26(29)30)16-9-11-24(12-10-16)13-14-25-21(28)18-3-1-2-4-19(18)23-22(25)31/h1-8,16H,9-14H2,(H,23,31)/i13D2