2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-6-methylheptan-2-yl]ethanamide

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-6-methylheptan-2-yl]ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1,5-dimethylhexyl]acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(2S)-6-methylheptan-2-yl]acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-6-methylheptan-2-yl]acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-[(1S)-1,5-dimethylhexyl]acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H28N4O2S/c1-17(2)7-6-8-18(3)27-23(30)16-32-25-28-22-10-5-4-9-21(22)24(31)29(25)20-13-11-19(15-26)12-14-20/h4-5,9-14,17-18H,6-8,16H2,1-3H3,(H,27,30)/t18-/m0/s1