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

Systemtic Name: N-(3-methylbutyl)-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-isopentyl-acetamide CAS Name: N-(3-methylbutyl)-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-(3-methylbutyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]-N-isoamyl-acetamide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2S/c1-20(2)13-14-28-25(32)19-34-27-29-24-12-11-22(30-15-7-4-8-16-30)17-23(24)26(33)31(27)18-21-9-5-3-6-10-21/h3,5-6,9-12,17,20H,4,7-8,13-16,18-19H2,1-2H3,(H,28,32)