N-[2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methoxy-benzamide

Systemtic Name: N-[2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methoxy-benzamide Openeye Name: N-[2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methoxy-benzamide CAS Name: N-[2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-methoxybenzamide IUPAC Name: N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methoxybenzamide Traditional Name: N-[2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-methoxy-benzamide Formula: C23H17FN2O3S2 MolecularWeight: 452.521083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN2O3S2/c1-29-18-4-2-3-15(11-18)22(28)25-17-9-10-19-21(12-17)31-23(26-19)30-13-20(27)14-5-7-16(24)8-6-14/h2-12H,13H2,1H3,(H,25,28)