N-cyclohexyl-4-[[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzamide

Systemtic Name: N-cyclohexyl-4-[[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]benzamide Openeye Name: N-cyclohexyl-4-[[2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]benzamide CAS Name: N-cyclohexyl-4-[[2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]benzamide IUPAC Name: N-cyclohexyl-4-[[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]benzamide Traditional Name: N-cyclohexyl-4-[[2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]benzamide Formula: C31H38N4O3S MolecularWeight: 546.72342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C(=O)NC5CCCCC5)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C(=O)NC5CCCCC5)C

InChI

InChI=1S/C31H38N4O3S/c1-21-16-22(2)18-34(17-21)28(36)20-39-31-33-27-11-7-6-10-26(27)30(38)35(31)19-23-12-14-24(15-13-23)29(37)32-25-8-4-3-5-9-25/h6-7,10-15,21-22,25H,3-5,8-9,16-20H2,1-2H3,(H,32,37)