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

Systemtic Name: N-[4-(3,4-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[4-(3,4-dimethylphenyl)-5-propyl-thiazol-2-yl]-2-nitro-benzamide CAS Name: N-[4-(3,4-dimethylphenyl)-5-propyl-2-thiazolyl]-2-nitrobenzamide IUPAC Name: N-[4-(3,4-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-2-nitrobenzamide Traditional Name: N-[4-(3,4-dimethylphenyl)-5-propyl-thiazol-2-yl]-2-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=CC(=C(C=C3)C)C

Isomeric SMILES

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

InChI

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