N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-nitro-benzamide

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-nitro-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-nitro-benzamide CAS Name: 3-nitro-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3-nitrobenzamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-3-nitro-benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-2-4-16(23)21-18-20-14-8-7-12(10-15(14)27-18)19-17(24)11-5-3-6-13(9-11)22(25)26/h3,5-10H,2,4H2,1H3,(H,19,24)(H,20,21,23)