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

Systemtic Name: 3-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Openeye Name: 3-phenyl-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]propanamide CAS Name: 3-phenyl-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Traditional Name: 3-phenyl-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]propionamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S2/c25-20(14-9-17-7-3-1-4-8-17)23-21(28)22-18-10-12-19(13-11-18)29(26,27)24-15-5-2-6-16-24/h1,3-4,7-8,10-13H,2,5-6,9,14-16H2,(H2,22,23,25,28)