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

Systemtic Name: N-(4-dimethylaminophenyl)-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-(4-dimethylaminophenyl)acetamide CAS Name: N-(4-dimethylaminophenyl)-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-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]-N-(4-dimethylaminophenyl)acetamide Formula: C30H33N5O2S MolecularWeight: 527.68032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N5O2S/c1-33(2)24-13-11-23(12-14-24)31-28(36)21-38-30-32-27-16-15-25(34-17-7-4-8-18-34)19-26(27)29(37)35(30)20-22-9-5-3-6-10-22/h3,5-6,9-16,19H,4,7-8,17-18,20-21H2,1-2H3,(H,31,36)