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

Systemtic Name: N-(4-ethylphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: 2-[3-benzyl-4-oxo-6-(1-piperidyl)quinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide CAS Name: N-(4-ethylphenyl)-2-[[4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]butanamide IUPAC Name: 2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide Traditional Name: 2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]-N-(4-ethylphenyl)butyramide Formula: C32H36N4O2S MolecularWeight: 540.71884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=C(C=C(C=C3)N4CCCCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=C(C=C(C=C3)N4CCCCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C32H36N4O2S/c1-3-23-13-15-25(16-14-23)33-30(37)29(4-2)39-32-34-28-18-17-26(35-19-9-6-10-20-35)21-27(28)31(38)36(32)22-24-11-7-5-8-12-24/h5,7-8,11-18,21,29H,3-4,6,9-10,19-20,22H2,1-2H3,(H,33,37)