N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)thio]butyramide Formula: C22H25ClFN3O2S2 MolecularWeight: 482.034203

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25ClFN3O2S2/c1-26(2)12-13-27(19(28)5-4-14-30-16-8-6-15(24)7-9-16)22-25-20-18(29-3)11-10-17(23)21(20)31-22/h6-11H,4-5,12-14H2,1-3H3