N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]butyramide Formula: C23H28FN3OS2 MolecularWeight: 445.616323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3OS2/c1-4-17-7-12-20-21(16-17)30-23(25-20)27(14-13-26(2)3)22(28)6-5-15-29-19-10-8-18(24)9-11-19/h7-12,16H,4-6,13-15H2,1-3H3