4-(cyclopropylamino)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-(4-fluorophenyl)-5-methyl-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-3-nitro-benzamide Formula: C20H17FN4O3S MolecularWeight: 412.437383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN4O3S/c1-11-18(12-2-5-14(21)6-3-12)23-20(29-11)24-19(26)13-4-9-16(22-15-7-8-15)17(10-13)25(27)28/h2-6,9-10,15,22H,7-8H2,1H3,(H,23,24,26)