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

Systemtic Name: N-butyl-2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-benzyl-4-oxo-6-(1-piperidyl)quinazolin-2-yl]sulfanyl-N-butyl-acetamide CAS Name: N-butyl-2-[[4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanyl-N-butylacetamide Traditional Name: 2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]-N-butyl-acetamide Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C=C(C=C2)N3CCCCC3)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C=C(C=C2)N3CCCCC3)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-2-3-14-27-24(31)19-33-26-28-23-13-12-21(29-15-8-5-9-16-29)17-22(23)25(32)30(26)18-20-10-6-4-7-11-20/h4,6-7,10-13,17H,2-3,5,8-9,14-16,18-19H2,1H3,(H,27,31)