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A1B2O

Summary
Name:(3S)-N~1~-methyl-N~1~-[2-(methylsulfanyl)phenyl]pyrrolidine-1,3-dicarboxamide
Formula:C14 H19 N3 O2 S
Formal charge:0
Formula weight:293.385 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-N~1~-methyl-N~1~-[2-(methylsulfanyl)phenyl]pyrrolidine-1,3-dicarboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-~{N}1-methyl-~{N}1-(2-methylsulfanylphenyl)pyrrolidine-1,3-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(N)C1CCN(C1)C(=O)N(C)c1ccccc1SC
InChIInChI1.06InChI=1S/C14H19N3O2S/c1-16(11-5-3-4-6-12(11)20-2)14(19)17-8-7-10(9-17)13(15)18/h3-6,10H,7-9H2,1-2H3,(H2,15,18)/t10-/m0/s1
InChIKeyInChI1.06GDQIPIWSEBEWLA-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385CSc1ccccc1N(C)C(=O)N2CC[C@@H](C2)C(N)=O
SMILESCACTVS3.385CSc1ccccc1N(C)C(=O)N2CC[CH](C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN(c1ccccc1SC)C(=O)N2CC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0CN(c1ccccc1SC)C(=O)N2CCC(C2)C(=O)N

248636

PDB entries from 2026-02-04

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