3-phenyl-N-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide

Systemtic Name: 3-phenyl-N-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Openeye Name: 3-phenyl-N-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide CAS Name: 3-phenyl-N-[[3-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-phenyl-N-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Traditional Name: 3-phenyl-N-[(3-pyrrolidinosulfonylphenyl)thiocarbamoyl]propionamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S2/c24-19(12-11-16-7-2-1-3-8-16)22-20(27)21-17-9-6-10-18(15-17)28(25,26)23-13-4-5-14-23/h1-3,6-10,15H,4-5,11-14H2,(H2,21,22,24,27)