7-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-p-phenetylsulfonylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C21H22N4O5S2 MolecularWeight: 474.55318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C21H22N4O5S2/c1-2-30-15-4-6-16(7-5-15)32(28,29)25-11-9-24(10-12-25)20(27)14-3-8-17-18(13-14)22-21(31)23-19(17)26/h3-8,13H,2,9-12H2,1H3,(H2,22,23,26,31)