Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

RO3

Summary
Name:N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-YLIDENE]CARBAMOYL}-4-METHYLBENZENESULFONAMIDE
Formula:C11 H10 Br N3 O3 S2
Formal charge:0
Formula weight:376.249 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-4-methylbenzenesulfonamide
OpenEye OEToolkits1.6.11-(5-bromo-3H-1,3-thiazol-2-ylidene)-3-(4-methylphenyl)sulfonyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04BrC=2S/C(=N\C(=O)NS(=O)(=O)c1ccc(cc1)C)NC=2
SMILES_CANONICALCACTVS3.352Cc1ccc(cc1)[S](=O)(=O)NC(=O)N=C2NC=C(Br)S2
SMILESCACTVS3.352Cc1ccc(cc1)[S](=O)(=O)NC(=O)N=C2NC=C(Br)S2
SMILES_CANONICALOpenEye OEToolkits1.6.1Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br
SMILESOpenEye OEToolkits1.6.1Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br
InChIInChI1.03InChI=1S/C11H10BrN3O3S2/c1-7-2-4-8(5-3-7)20(17,18)15-10(16)14-11-13-6-9(12)19-11/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyInChI1.03XFLQMYNYRPUILJ-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon