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

Systemtic Name: 4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-[ethyl-(3-methylphenyl)amino]propyl]benzamide Openeye Name: 4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethyl-3-methyl-anilino)propyl]benzamide CAS Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethyl-3-methylanilino)propyl]benzamide IUPAC Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethyl-3-methylanilino)propyl]benzamide Traditional Name: 4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethyl-3-methyl-anilino)propyl]benzamide Formula: C28H29BrN4O2S MolecularWeight: 565.52446

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H29BrN4O2S/c1-3-32(23-7-4-6-19(2)16-23)15-5-14-30-26(34)21-10-8-20(9-11-21)18-33-27(35)24-17-22(29)12-13-25(24)31-28(33)36/h4,6-13,16-17H,3,5,14-15,18H2,1-2H3,(H,30,34)(H,31,36)