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

Systemtic Name: 4-[2-(4-methoxyphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid Openeye Name: 4-[2-(4-methoxyphenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid CAS Name: 4-[2-(4-methoxyphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid IUPAC Name: 4-[2-(4-methoxyphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid Traditional Name: 4-[2-(4-methoxyphenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)C3=C(N2C4=CC=C(C=C4)C(=O)O)CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)C3=C(N2C4=CC=C(C=C4)C(=O)O)CCCC3

InChI

InChI=1S/C22H20N2O3S/c1-27-17-12-8-14(9-13-17)20-23-21(28)18-4-2-3-5-19(18)24(20)16-10-6-15(7-11-16)22(25)26/h6-13H,2-5H2,1H3,(H,25,26)