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

Systemtic Name: 4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-[ethyl(phenyl)amino]propyl]benzamide Openeye Name: 4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethylanilino)propyl]benzamide CAS Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethylanilino)propyl]benzamide IUPAC Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethylanilino)propyl]benzamide Traditional Name: 4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethylanilino)propyl]benzamide Formula: C27H27BrN4O2S MolecularWeight: 551.49788

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)C4=CC=CC=C4

Isomeric SMILES

CCN(CCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)C4=CC=CC=C4

InChI

InChI=1S/C27H27BrN4O2S/c1-2-31(22-7-4-3-5-8-22)16-6-15-29-25(33)20-11-9-19(10-12-20)18-32-26(34)23-17-21(28)13-14-24(23)30-27(32)35/h3-5,7-14,17H,2,6,15-16,18H2,1H3,(H,29,33)(H,30,35)