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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-13(2)14-5-8-16(9-6-14)27-11-3-4-19(24)22-20-21-17-10-7-15(23(25)26)12-18(17)28-20/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,22,24)