N-[6-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]butyramide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-4-5-18(26)25-21-24-16-7-6-14(10-17(16)29-21)23-19(27)11-28-15-8-12(2)20(22)13(3)9-15/h6-10H,4-5,11H2,1-3H3,(H,23,27)(H,24,25,26)