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

Systemtic Name: 3-[(3-bromophenyl)methyl]-7-morpholin-4-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(3-bromophenyl)methyl]-7-(morpholine-4-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(3-bromophenyl)methyl]-7-[4-morpholinyl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(3-bromophenyl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-bromobenzyl)-7-(morpholine-4-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H18BrN3O3S/c21-15-3-1-2-13(10-15)12-24-19(26)16-5-4-14(11-17(16)22-20(24)28)18(25)23-6-8-27-9-7-23/h1-5,10-11H,6-9,12H2,(H,22,28)