N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-nitro-benzamide

Systemtic Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-2-nitro-benzamide CAS Name: N-[4-[4-(2-acetamidoethyl)phenyl]-2-thiazolyl]-2-nitrobenzamide IUPAC Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-nitrobenzamide Traditional Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-2-nitro-benzamide Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-13(25)21-11-10-14-6-8-15(9-7-14)17-12-29-20(22-17)23-19(26)16-4-2-3-5-18(16)24(27)28/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,23,26)