N-[5-[(2-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide

Systemtic Name: N-[5-[(2-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-[5-[(2-bromophenyl)methyl]thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-[5-[(2-bromophenyl)methyl]-2-thiazolyl]-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[5-[(2-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-[5-(2-bromobenzyl)thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propionamide Formula: C16H14BrN5O3S MolecularWeight: 436.28306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CN=C(S2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CN=C(S2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H14BrN5O3S/c17-13-4-2-1-3-11(13)7-12-8-18-16(26-12)20-15(23)5-6-21-9-14(19-10-21)22(24)25/h1-4,8-10H,5-7H2,(H,18,20,23)