4-(2,4-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(2,4-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(2,4-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(2,4-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(2,4-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(2,4-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N3O4S/c1-12-5-8-16(13(2)10-12)26-9-3-4-18(23)21-19-20-15-7-6-14(22(24)25)11-17(15)27-19/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,23)