3-nitro-4-pyrrolidin-1-yl-N-[[2,4,6-tris(chloranyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-N-[[2,4,6-tris(chloranyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-[(2,4,6-trichlorophenyl)carbamothioyl]benzamide CAS Name: 3-nitro-4-(1-pyrrolidinyl)-N-[sulfanylidene-(2,4,6-trichloroanilino)methyl]benzamide IUPAC Name: 3-nitro-4-pyrrolidin-1-yl-N-[(2,4,6-trichlorophenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-4-pyrrolidino-N-[(2,4,6-trichlorophenyl)thiocarbamoyl]benzamide Formula: C18H15Cl3N4O3S MolecularWeight: 473.7607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3Cl)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3Cl)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15Cl3N4O3S/c19-11-8-12(20)16(13(21)9-11)22-18(29)23-17(26)10-3-4-14(15(7-10)25(27)28)24-5-1-2-6-24/h3-4,7-9H,1-2,5-6H2,(H2,22,23,26,29)