6-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid

Systemtic Name: 6-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid Openeye Name: 6-[2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid CAS Name: 6-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid IUPAC Name: 6-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid Traditional Name: 6-[2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]hexanoic acid Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CCCCCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CCCCCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O2S/c21-15-11-9-14(10-12-15)19-22-20(26)16-6-3-4-7-17(16)23(19)13-5-1-2-8-18(24)25/h9-12H,1-8,13H2,(H,24,25)