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

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-thiazol-5-yl]ethyl]-3-nitro-benzamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-5-thiazolyl]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-thiazol-5-yl]ethyl]-3-nitro-benzamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S/c1-13-19(9-10-22-20(25)14-5-4-6-16(11-14)24(26)27)30-21(23-13)15-7-8-17(28-2)18(12-15)29-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)