2-[7-(4-aminocarbonylpiperidin-1-yl)carbonyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanyl-N,N'-bis(phenylmethyl)propanediamide

Systemtic Name: 2-[7-(4-aminocarbonylpiperidin-1-yl)carbonyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanyl-N,N'-bis(phenylmethyl)propanediamide Openeye Name: N,N'-dibenzyl-2-[7-(4-carbamoylpiperidine-1-carbonyl)-4-oxo-3-pentyl-quinazolin-2-yl]sulfanyl-propanediamide CAS Name: 2-[[7-[(4-carbamoyl-1-piperidinyl)-oxomethyl]-4-oxo-3-pentyl-2-quinazolinyl]thio]-N,N'-bis(phenylmethyl)propanediamide IUPAC Name: N,N'-dibenzyl-2-[7-(4-carbamoylpiperidine-1-carbonyl)-4-oxo-3-pentylquinazolin-2-yl]sulfanylpropanediamide Traditional Name: 2-[[3-amyl-7-(4-carbamoylpiperidine-1-carbonyl)-4-keto-quinazolin-2-yl]thio]-N,N'-dibenzyl-malonamide Formula: C37H42N6O5S MolecularWeight: 682.83158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SC(C(=O)NCC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SC(C(=O)NCC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C37H42N6O5S/c1-2-3-10-19-43-36(48)29-16-15-28(35(47)42-20-17-27(18-21-42)32(38)44)22-30(29)41-37(43)49-31(33(45)39-23-25-11-6-4-7-12-25)34(46)40-24-26-13-8-5-9-14-26/h4-9,11-16,22,27,31H,2-3,10,17-21,23-24H2,1H3,(H2,38,44)(H,39,45)(H,40,46)