N-(1-cyanocyclohexyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC)C4(CCCCC4)C#N

InChI

InChI=1S/C25H26N4O3S/c1-28(25(17-26)13-6-3-7-14-25)22(30)16-33-24-27-21-12-5-4-11-20(21)23(31)29(24)18-9-8-10-19(15-18)32-2/h4-5,8-12,15H,3,6-7,13-14,16H2,1-2H3