(2R)-N-(4-tert-butylphenyl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(4-tert-butylphenyl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(4-tert-butylphenyl)-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(4-tert-butylphenyl)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(4-tert-butylphenyl)-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(4-tert-butylphenyl)-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]propionamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)NC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H28N4O2S/c1-17-14-15-28-23(16-17)31-25(33)21-8-6-7-9-22(21)30-26(31)34-18(2)24(32)29-20-12-10-19(11-13-20)27(3,4)5/h6-16,18H,1-5H3,(H,29,32)/t18-/m1/s1