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

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-benzyl-4-oxo-6-(1-piperidyl)quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]-N-phenethyl-acetamide Formula: C30H32N4O2S MolecularWeight: 512.66568

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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)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O2S/c35-28(31-17-16-23-10-4-1-5-11-23)22-37-30-32-27-15-14-25(33-18-8-3-9-19-33)20-26(27)29(36)34(30)21-24-12-6-2-7-13-24/h1-2,4-7,10-15,20H,3,8-9,16-19,21-22H2,(H,31,35)