3-[(3-bromophenyl)methyl]-N-[2-(4-chlorophenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-[2-(4-chlorophenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-[2-(4-chlorophenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-[2-(4-chlorophenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-[2-(4-chlorophenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N-[2-(4-chlorophenyl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H19BrClN3O2S MolecularWeight: 528.84856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl)NC2=S

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl)NC2=S

InChI

InChI=1S/C24H19BrClN3O2S/c25-18-3-1-2-16(12-18)14-29-23(31)20-9-6-17(13-21(20)28-24(29)32)22(30)27-11-10-15-4-7-19(26)8-5-15/h1-9,12-13H,10-11,14H2,(H,27,30)(H,28,32)