3-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide

Systemtic Name: 3-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Openeye Name: 3-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide CAS Name: 3-phenyl-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Traditional Name: 3-phenyl-N-[(4-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=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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