4-(cyclopropylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[2-[(2-fluorobenzyl)thio]ethyl]-3-nitro-benzamide Formula: C19H20FN3O3S MolecularWeight: 389.443803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O3S/c20-16-4-2-1-3-14(16)12-27-10-9-21-19(24)13-5-8-17(22-15-6-7-15)18(11-13)23(25)26/h1-5,8,11,15,22H,6-7,9-10,12H2,(H,21,24)