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

Systemtic Name: N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H21N3O4S2/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/h1-7,9-12,14,22H,8,13,15H2,(H2,23,24,25,29)