5-chloranyl-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[5-methyl-4-(4-propylphenyl)thiazol-2-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[5-methyl-4-(4-propylphenyl)-2-thiazolyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[5-methyl-4-(4-propylphenyl)thiazol-2-yl]-2-nitro-benzamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H18ClN3O3S/c1-3-4-13-5-7-14(8-6-13)18-12(2)28-20(22-18)23-19(25)16-11-15(21)9-10-17(16)24(26)27/h5-11H,3-4H2,1-2H3,(H,22,23,25)