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

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-fluoro-benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]-3-fluorobenzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-fluorobenzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-3-fluoro-benzamide Formula: C16H12FN3O2S2 MolecularWeight: 361.413783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12FN3O2S2/c17-10-3-1-2-9(6-10)15(22)19-11-4-5-12-13(7-11)24-16(20-12)23-8-14(18)21/h1-7H,8H2,(H2,18,21)(H,19,22)