N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(2-nitroanilino)propanamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)propanamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(2-nitroanilino)propionamide Formula: C20H18FN5O4S MolecularWeight: 443.451423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])F

InChI

InChI=1S/C20H18FN5O4S/c1-12(27)23-13-6-7-14(15(21)10-13)17-11-31-20(24-17)25-19(28)8-9-22-16-4-2-3-5-18(16)26(29)30/h2-7,10-11,22H,8-9H2,1H3,(H,23,27)(H,24,25,28)