4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide CAS Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(4-methyl-1-piperazinyl)propyl]benzamide IUPAC Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-[3-(4-methylpiperazino)propyl]benzamide Formula: C24H28BrN5O2S MolecularWeight: 530.48042

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C24H28BrN5O2S/c1-28-11-13-29(14-12-28)10-2-9-26-22(31)18-5-3-17(4-6-18)16-30-23(32)20-15-19(25)7-8-21(20)27-24(30)33/h3-8,15H,2,9-14,16H2,1H3,(H,26,31)(H,27,33)