2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S)-1-(4-ethylphenyl)ethyl]ethanamide

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S)-1-(4-ethylphenyl)ethyl]ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H24N4O2S/c1-3-19-8-12-21(13-9-19)18(2)29-25(32)17-34-27-30-24-7-5-4-6-23(24)26(33)31(27)22-14-10-20(16-28)11-15-22/h4-15,18H,3,17H2,1-2H3,(H,29,32)/t18-/m0/s1