N-[(1S,2S)-2-methylcyclohexyl]-2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[3-(3-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[[3-(3-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[3-(3-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=N4)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=N4)C

InChI

InChI=1S/C23H26N4O2S/c1-15-8-3-5-11-18(15)25-20(28)14-30-23-26-19-12-6-4-10-17(19)22(29)27(23)21-16(2)9-7-13-24-21/h4,6-7,9-10,12-13,15,18H,3,5,8,11,14H2,1-2H3,(H,25,28)/t15-,18-/m0/s1