3-[6-oxidanylidene-6-[4-[phenyl-(phenylmethyl)amino]piperidin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-oxidanylidene-6-[4-[phenyl-(phenylmethyl)amino]piperidin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[4-(N-benzylanilino)-1-piperidyl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-oxo-6-[4-(N-(phenylmethyl)anilino)-1-piperidinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-(N-benzylanilino)piperidin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-[4-(N-benzylanilino)piperidino]-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C32H36N4O2S MolecularWeight: 540.71884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCCCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCC1N(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCCCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C32H36N4O2S/c37-30(18-8-3-11-21-35-31(38)28-16-9-10-17-29(28)33-32(35)39)34-22-19-27(20-23-34)36(26-14-6-2-7-15-26)24-25-12-4-1-5-13-25/h1-2,4-7,9-10,12-17,27H,3,8,11,18-24H2,(H,33,39)