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

Systemtic Name: 3-(2-ethylbutanoylamino)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(2-ethylbutanoylamino)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-[(2-ethyl-1-oxobutyl)amino]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-(2-ethylbutanoylamino)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(2-ethylbutanoylamino)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-3-12(4-2)18(25)21-14-7-5-6-13(10-14)19(26)23-20-22-16-9-8-15(24(27)28)11-17(16)29-20/h5-12H,3-4H2,1-2H3,(H,21,25)(H,22,23,26)