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R80

Summary
Name:6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazine-1,1,3(2H,6H)-trione
Formula:C11 H10 Cl2 N2 O3 S
Formal charge:0
Formula weight:321.18 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.526-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazine-1,1,3(2H,6H)-trione
OpenEye OEToolkits3.1.0.06-[(3,4-dichlorophenyl)methyl]-5-methyl-1,1-bis(oxidanylidene)-1,2,6-thiadiazin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C1C=C(C)N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)N1
InChIInChI1.06InChI=1S/C11H10Cl2N2O3S/c1-7-4-11(16)14-19(17,18)15(7)6-8-2-3-9(12)10(13)5-8/h2-5H,6H2,1H3,(H,14,16)
InChIKeyInChI1.06QLTRNNASZXWKHO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=CC(=O)N[S](=O)(=O)N1Cc2ccc(Cl)c(Cl)c2
SMILESCACTVS3.385CC1=CC(=O)N[S](=O)(=O)N1Cc2ccc(Cl)c(Cl)c2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC1=CC(=O)NS(=O)(=O)N1Cc2ccc(c(c2)Cl)Cl
SMILESOpenEye OEToolkits3.1.0.0CC1=CC(=O)NS(=O)(=O)N1Cc2ccc(c(c2)Cl)Cl

246905

PDB entries from 2025-12-31

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