N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)-5-propyl-thiazol-2-yl]-3-nitro-benzamide CAS Name: N-[4-(2,5-dimethylphenyl)-5-propyl-2-thiazolyl]-3-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[4-(2,5-dimethylphenyl)-5-propyl-thiazol-2-yl]-3-nitro-benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCC1=C(N=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H21N3O3S/c1-4-6-18-19(17-11-13(2)9-10-14(17)3)22-21(28-18)23-20(25)15-7-5-8-16(12-15)24(26)27/h5,7-12H,4,6H2,1-3H3,(H,22,23,25)