3-[(2-piperidin-1-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(2-piperidin-1-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[2-(1-piperidylsulfonyl)phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[2-(1-piperidinylsulfonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(2-piperidin-1-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2-piperidinosulfonylbenzyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C20H21N3O3S2/c24-19-16-9-3-4-10-17(16)21-20(27)23(19)14-15-8-2-5-11-18(15)28(25,26)22-12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-14H2,(H,21,27)