2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C24H27N5O3S2 MolecularWeight: 497.63288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5

InChI

InChI=1S/C24H27N5O3S2/c30-22(25-17-10-12-19(13-11-17)34(31,32)29-14-4-1-5-15-29)16-33-24-27-21-7-3-2-6-20(21)23(28-24)26-18-8-9-18/h2-3,6-7,10-13,18H,1,4-5,8-9,14-16H2,(H,25,30)(H,26,27,28)