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

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]ethyl]-3-nitro-benzamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]ethyl]-3-nitro-benzamide Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-27-17-7-6-14(11-18(17)28-2)20-22-15(12-29-20)8-9-21-19(24)13-4-3-5-16(10-13)23(25)26/h3-7,10-12H,8-9H2,1-2H3,(H,21,24)