1-(4-chlorophenyl)-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-chlorophenyl)-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-chlorophenyl)-2-[[4-(cyclohexylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(4-chlorophenyl)-2-[[4-(cyclohexylamino)quinazolin-2-yl]thio]ethanone Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3OS/c23-16-12-10-15(11-13-16)20(27)14-28-22-25-19-9-5-4-8-18(19)21(26-22)24-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,24,25,26)