N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H18N4O5S/c1-11-5-6-12(2)18-17(11)22-19(30-18)21-16(25)4-3-9-23-14-8-7-13(24(27)28)10-15(14)29-20(23)26/h5-8,10H,3-4,9H2,1-2H3,(H,21,22,25)