N-[2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]ethyl]-3-fluoranyl-4-methyl-benzamide

Systemtic Name: N-[2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]ethyl]-3-fluoranyl-4-methyl-benzamide Openeye Name: N-[2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]ethyl]-3-fluoro-4-methyl-benzamide CAS Name: N-[2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]ethyl]-3-fluoro-4-methylbenzamide IUPAC Name: N-[2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide Traditional Name: N-[2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]ethyl]-3-fluoro-4-methyl-benzamide Formula: C19H18FN3O2S2 MolecularWeight: 403.493523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)CSC2=NC3=CC=CC=C3S2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)CSC2=NC3=CC=CC=C3S2)F

InChI

InChI=1S/C19H18FN3O2S2/c1-12-6-7-13(10-14(12)20)18(25)22-9-8-21-17(24)11-26-19-23-15-4-2-3-5-16(15)27-19/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,25)