N-(cyclohexylcarbamoyl)-2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC4CCCCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC4CCCCC4

InChI

InChI=1S/C25H28N4O3S/c1-16-9-8-10-17(2)22(16)29-23(31)19-13-6-7-14-20(19)27-25(29)33-15-21(30)28-24(32)26-18-11-4-3-5-12-18/h6-10,13-14,18H,3-5,11-12,15H2,1-2H3,(H2,26,28,30,32)