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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S/c1-14-12-18(9-10-20(14)26(29)30)21(28)25-22-24-19(13-31-22)17-7-5-16(6-8-17)4-3-11-23-15(2)27/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,27)(H,24,25,28)