3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-7-phenylmethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-7-phenylmethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-benzyloxy-3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-7-phenylmethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-phenylmethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-benzoxy-3-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C29H28FN3O3S MolecularWeight: 517.614323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=C(C=C4)OCC5=CC=CC=C5)NC3=S

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=C(C=C4)OCC5=CC=CC=C5)NC3=S

InChI

InChI=1S/C29H28FN3O3S/c30-23-8-6-21(7-9-23)27(34)22-12-14-32(15-13-22)16-17-33-28(35)25-11-10-24(18-26(25)31-29(33)37)36-19-20-4-2-1-3-5-20/h1-11,18,22H,12-17,19H2,(H,31,37)