N-(2-methoxyethyl)-4-nitro-N-[3-oxidanylidene-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide

Systemtic Name: N-(2-methoxyethyl)-4-nitro-N-[3-oxidanylidene-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide Openeye Name: N-(2-methoxyethyl)-4-nitro-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide CAS Name: N-(2-methoxyethyl)-4-nitro-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide IUPAC Name: N-(2-methoxyethyl)-4-nitro-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide Traditional Name: N-[3-keto-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]-N-(2-methoxyethyl)-4-nitro-benzamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCC(=O)NC1=NN=C(S1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN(CCC(=O)NC1=NN=C(S1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c1-31-14-13-25(20(28)16-7-9-17(10-8-16)26(29)30)12-11-18(27)22-21-24-23-19(32-21)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,22,24,27)