N-[4-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide CAS Name: N-[4-[2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-oxopropyl]phenyl]butanamide IUPAC Name: N-[4-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide Traditional Name: N-[4-[2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]propanoyl]phenyl]butyramide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C24H26N4O2S/c1-3-6-21(29)25-17-11-9-16(10-12-17)22(30)15(2)31-24-27-20-8-5-4-7-19(20)23(28-24)26-18-13-14-18/h4-5,7-12,15,18H,3,6,13-14H2,1-2H3,(H,25,29)(H,26,27,28)