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

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-[(2S)-2-phenylpropyl]acetamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2S/c1-18(20-7-3-2-4-8-20)16-28-24(31)17-33-26-29-23-10-6-5-9-22(23)25(32)30(26)21-13-11-19(15-27)12-14-21/h2-14,18H,16-17H2,1H3,(H,28,31)/t18-/m1/s1