N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: 3-phenyl-N-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioyl]propanamide CAS Name: N-[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: 3-phenyl-N-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoyl]propionamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S2/c25-20(13-8-16-5-2-1-3-6-16)24-21(29)23-17-9-11-19(12-10-17)30(26,27)22-15-18-7-4-14-28-18/h1-3,5-6,9-12,18,22H,4,7-8,13-15H2,(H2,23,24,25,29)