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

Systemtic Name: 4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-phenethyl-benzamide Openeye Name: 4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-phenethyl-benzamide CAS Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-phenethylbenzamide IUPAC Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-phenethylbenzamide Traditional Name: 4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-phenethyl-benzamide Formula: C24H20BrN3O2S MolecularWeight: 494.4035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C24H20BrN3O2S/c25-19-10-11-21-20(14-19)23(30)28(24(31)27-21)15-17-6-8-18(9-7-17)22(29)26-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,31)