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

Systemtic Name: 4-(cyclopropylamino)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-3-nitro-benzamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-29-14-6-8-19(30-2)15(10-14)17-11-31-21(23-17)24-20(26)12-3-7-16(22-13-4-5-13)18(9-12)25(27)28/h3,6-11,13,22H,4-5H2,1-2H3,(H,23,24,26)