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

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5S/c1-13(27)23-15-5-3-14(4-6-15)19-12-32-21(24-19)25-20(28)17-11-16(26(29)30)7-8-18(17)22-9-10-31-2/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,27)(H,24,25,28)