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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCC2=C(N=C(S2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCC2=C(N=C(S2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H18ClN3O3S/c1-12-16(4-3-5-17(12)24(26)27)19(25)22-11-10-18-13(2)23-20(28-18)14-6-8-15(21)9-7-14/h3-9H,10-11H2,1-2H3,(H,22,25)