2-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-piperidinosulfonylphenyl)ethyl]thio]-1H-quinazolin-4-one Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H21N3O4S2/c25-19(14-29-21-22-18-7-3-2-6-17(18)20(26)23-21)15-8-10-16(11-9-15)30(27,28)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14H2,(H,22,23,26)