3-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propanoic acid

Systemtic Name: 3-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propanoic acid Openeye Name: 3-[2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]propanoic acid CAS Name: 3-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propanoic acid IUPAC Name: 3-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propanoic acid Traditional Name: 3-[2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]propionic acid Formula: C17H17BrN2O2S MolecularWeight: 393.29808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H17BrN2O2S/c18-12-7-5-11(6-8-12)16-19-17(23)13-3-1-2-4-14(13)20(16)10-9-15(21)22/h5-8H,1-4,9-10H2,(H,21,22)