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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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