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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(1-oxopentylamino)benzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(pentanoylamino)benzamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(valerylamino)benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-2-3-4-17(24)20-13-7-5-12(6-8-13)18(25)22-19-21-15-10-9-14(23(26)27)11-16(15)28-19/h5-11H,2-4H2,1H3,(H,20,24)(H,21,22,25)