2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S)-3-methyl-1-phenyl-butyl]ethanamide

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S)-3-methyl-1-phenyl-butyl]ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-3-methyl-1-phenyl-butyl]acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-[(1S)-3-methyl-1-phenyl-butyl]acetamide Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)C[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H26N4O2S/c1-19(2)16-25(21-8-4-3-5-9-21)30-26(33)18-35-28-31-24-11-7-6-10-23(24)27(34)32(28)22-14-12-20(17-29)13-15-22/h3-15,19,25H,16,18H2,1-2H3,(H,30,33)/t25-/m0/s1