3-ethyl-7-(4-methylsulfonylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-ethyl-7-(4-methylsulfonylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-ethyl-7-(4-methylsulfonylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-ethyl-7-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-ethyl-7-(4-methylsulfonylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-ethyl-7-(4-mesylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C)NC1=S

InChI

InChI=1S/C16H20N4O4S2/c1-3-20-15(22)12-5-4-11(10-13(12)17-16(20)25)14(21)18-6-8-19(9-7-18)26(2,23)24/h4-5,10H,3,6-9H2,1-2H3,(H,17,25)