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

Systemtic Name: N-cyclohexyl-N-ethyl-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-N-ethyl-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-N-ethyl-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclohexyl-N-ethyl-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclohexyl-N-ethyl-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CC)C4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CC)C4CCCCC4

InChI

InChI=1S/C26H31N3O2S/c1-3-19-14-16-21(17-15-19)29-25(31)22-12-8-9-13-23(22)27-26(29)32-18-24(30)28(4-2)20-10-6-5-7-11-20/h8-9,12-17,20H,3-7,10-11,18H2,1-2H3