2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-benzyl-4-oxo-6-(1-piperidyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]acetamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2S/c34-27(30-19-22-10-4-1-5-11-22)21-36-29-31-26-15-14-24(32-16-8-3-9-17-32)18-25(26)28(35)33(29)20-23-12-6-2-7-13-23/h1-2,4-7,10-15,18H,3,8-9,16-17,19-21H2,(H,30,34)