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

Systemtic Name: N-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-fluoranyl-benzamide Openeye Name: N-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-fluoro-benzamide CAS Name: N-[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-fluorobenzamide IUPAC Name: N-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-fluorobenzamide Traditional Name: N-[2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-fluoro-benzamide Formula: C22H22FN3O2S2 MolecularWeight: 443.557383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O2S2/c23-15-8-6-14(7-9-15)21(28)25-17-10-11-18-19(12-17)30-22(26-18)29-13-20(27)24-16-4-2-1-3-5-16/h6-12,16H,1-5,13H2,(H,24,27)(H,25,28)