3-[(3-bromophenyl)methyl]-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(3-bromophenyl)methyl]-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(3-bromophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(3-bromophenyl)methyl]-7-[oxo(1-pyrrolidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(3-bromophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-bromobenzyl)-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H18BrN3O2S/c21-15-5-3-4-13(10-15)12-24-19(26)16-7-6-14(11-17(16)22-20(24)27)18(25)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9,12H2,(H,22,27)