N-(2,5-dimethoxyphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)acetamide CAS Name: N-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C30H32N4O4S MolecularWeight: 544.66448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCCCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCCCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O4S/c1-37-23-12-14-27(38-2)26(18-23)31-28(35)20-39-30-32-25-13-11-22(33-15-7-4-8-16-33)17-24(25)29(36)34(30)19-21-9-5-3-6-10-21/h3,5-6,9-14,17-18H,4,7-8,15-16,19-20H2,1-2H3,(H,31,35)