N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4,5-dimethoxy-2-nitro-N-prop-2-enyl-benzamide

Systemtic Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4,5-dimethoxy-2-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[4-(4-chlorophenyl)thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[4-(4-chlorophenyl)-2-thiazolyl]-4,5-dimethoxy-2-nitro-N-prop-2-enylbenzamide IUPAC Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4,5-dimethoxy-2-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[4-(4-chlorophenyl)thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C21H18ClN3O5S MolecularWeight: 459.90272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N(CC=C)C2=NC(=CS2)C3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N(CC=C)C2=NC(=CS2)C3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H18ClN3O5S/c1-4-9-24(21-23-16(12-31-21)13-5-7-14(22)8-6-13)20(26)15-10-18(29-2)19(30-3)11-17(15)25(27)28/h4-8,10-12H,1,9H2,2-3H3