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

Systemtic Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-[4-(3-acetamidopropyl)phenyl]-2-thiazolyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)CCCNC(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)CCCNC(=O)C

InChI

InChI=1S/C22H22N4O4S/c1-14-18(6-3-7-20(14)26(29)30)21(28)25-22-24-19(13-31-22)17-10-8-16(9-11-17)5-4-12-23-15(2)27/h3,6-11,13H,4-5,12H2,1-2H3,(H,23,27)(H,24,25,28)