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

Systemtic Name: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)Cl

InChI

InChI=1S/C20H18ClN3O5S/c1-11-4-5-12(7-15(11)21)6-13-10-22-20(30-13)23-19(25)14-8-17(28-2)18(29-3)9-16(14)24(26)27/h4-5,7-10H,6H2,1-3H3,(H,22,23,25)