N-[6-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]butyramide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C20H20ClN3O3S/c1-3-4-18(25)24-20-23-16-8-5-13(10-17(16)28-20)22-19(26)11-27-14-6-7-15(21)12(2)9-14/h5-10H,3-4,11H2,1-2H3,(H,22,26)(H,23,24,25)