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

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c1-12(27)22-15-5-2-13(3-6-15)18-11-31-21(24-18)25-20(28)14-4-9-17(23-16-7-8-16)19(10-14)26(29)30/h2-6,9-11,16,23H,7-8H2,1H3,(H,22,27)(H,24,25,28)