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

Systemtic Name: N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-[4,5-bis(p-tolyl)thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-[4,5-bis(4-methylphenyl)-2-thiazolyl]-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-[4,5-bis(p-tolyl)thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propionamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])C4=CC=C(C=C4)C

InChI

InChI=1S/C23H21N5O3S/c1-15-3-7-17(8-4-15)21-22(18-9-5-16(2)6-10-18)32-23(26-21)25-20(29)11-12-27-13-19(24-14-27)28(30)31/h3-10,13-14H,11-12H2,1-2H3,(H,25,26,29)