2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[4-(cyclohexylamino)-2-quinazolinyl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-(cyclohexylamino)quinazolin-2-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CCCCC4

InChI

InChI=1S/C23H26N4O2S/c1-29-18-11-7-10-17(14-18)24-21(28)15-30-23-26-20-13-6-5-12-19(20)22(27-23)25-16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,24,28)(H,25,26,27)