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

Systemtic Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(m-tolyl)quinazolin-2-yl]thio]-N-[(1R,2S)-2-methylcyclohexyl]acetamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C

InChI

InChI=1S/C24H27N3O2S/c1-16-8-7-10-18(14-16)27-23(29)19-11-4-6-13-21(19)26-24(27)30-15-22(28)25-20-12-5-3-9-17(20)2/h4,6-8,10-11,13-14,17,20H,3,5,9,12,15H2,1-2H3,(H,25,28)/t17-,20+/m0/s1