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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(4-propylphenoxy)butanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(4-propylphenoxy)butanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(4-propylphenoxy)butanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(4-propylphenoxy)butanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(4-propylphenoxy)butyramide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-2-4-14-6-9-16(10-7-14)27-12-3-5-19(24)22-20-21-17-11-8-15(23(25)26)13-18(17)28-20/h6-11,13H,2-5,12H2,1H3,(H,21,22,24)