N-(6-nitro-1,3-benzothiazol-2-yl)-4-(2-phenylethanoylamino)benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(2-phenylethanoylamino)benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(2-phenylacetyl)amino]benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(2-phenylacetyl)amino]benzamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S/c27-20(12-14-4-2-1-3-5-14)23-16-8-6-15(7-9-16)21(28)25-22-24-18-11-10-17(26(29)30)13-19(18)31-22/h1-11,13H,12H2,(H,23,27)(H,24,25,28)